SCHEMBL2287044

SCHEMBL2287044

O=C(O)C[C@@H](C(=O)O)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 3/20 0.50
CPB1 P15086 1/20 0.50
CPA3 P15088 1/20 0.50
CPB2 Q96IY4 1/20 0.50
EPOR P19235 3/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
CYP1A2 P05177 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
AKR1B1 P15121 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6703919 1.00 CPA1 (0.50) CPA1CPB1CPA3CPB2EPOR
SCHEMBL28403514 1.00 CPA1 (0.50) CPA1CPB1CPA3CPB2EPOR
Hydrochloric Acid SCHEMBL14874679 0.98 CPA1 (0.49) CPA1CPB1CPA3CPB2EPOR
SCHEMBL27633525 0.86 RAB9A (0.42) CPA1CPB1CPA3CPB2EPOR
SCHEMBL28608041 0.86 EPOR (0.44) CPA1CPB1CPA3CPB2EPOR
SCHEMBL27633527 0.86 RAB9A (0.42) CPA1CPB1CPA3CPB2EPOR
SCHEMBL19100080 0.84 MEN1 (0.49) CPA1CPB1CPA3CPB2EPOR
SCHEMBL19100081 0.84 MEN1 (0.49) CPA1CPB1CPA3CPB2EPOR
SCHEMBL2855957 0.83 KMT2A (0.49) CA12CA9CYP1A2MEN1KMT2A
SCHEMBL2319694 0.83 CYP1A2 (0.53) CPA1CPB1CPA3CPB2CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119679991-A Injectable amphiphilic block copolymer liquid embolic agent, preparation method thereof and interventional therapy preparation 南方科技大学 2025-03-25 CN claimed
CN-113603721-B Method for synthesizing SAICAR 重庆文理学院 2023-12-01 CN claimed
CN-107353409-B Dendritic polymer compound and preparation method and application thereof 安徽丰原药业股份有限公司 2020-04-24 CN claimed
CN-119679991-A Injectable amphiphilic block copolymer liquid embolic agent, preparation method thereof and interventional therapy preparation 南方科技大学 2025-03-25 CN disclosed
CN-118922424-A Preparation method of 2-aminopyridine derivative 西藏海思科制药有限公司 2024-11-08 CN disclosed
CN-118005913-B Block copolymer with cell membrane pore-forming property and preparation method and application thereof 四川大学 2024-08-06 CN disclosed
CN-113603721-B Method for synthesizing SAICAR 重庆文理学院 2023-12-01 CN disclosed
CN-108743953-B Dual brain tumor targeting lipid material and application thereof 四川大学 2021-06-01 CN disclosed
CN-107353409-B Dendritic polymer compound and preparation method and application thereof 安徽丰原药业股份有限公司 2020-04-24 CN disclosed
EP-2133743-B1 PHOTOSENSITIVE RESIN COMPOSITION, PROCESS FOR PRODUCING PATTERNED HARDENED FILM WITH USE THEREOF AND ELECTRONIC PART HITACHI CHEMICAL DUPONT MICROSYSTEMS LTD (JP) 2018-01-24 EP disclosed
US-9115218-B2 Anionic polysaccharides functionalized by at least two hydrophobic groups carried by an at least trivalent spacer ADOCIA (FR) 2015-08-25 US disclosed
EP-0458519-A2 Synthesis of nucleotide and nucleoside derivatives EFAMOL HOLDINGS PLC (GB) 1991-11-27 EP disclosed
US-4709086-A Process for the preparation of 4-benzyl aspartate HOECHST AKTIENGESELLSCHAFT (DE) 1987-11-24 US disclosed
US-4709086-A Process for the preparation of 4-benzyl aspartate HOECHST AKTIENGESELLSCHAFT (DE) 1987-11-24 US disclosed
US-4348522-A ANTITUMOR STARKS ASSOCIATES, INC. (US) 1982-09-07 US disclosed
US-4267126-A ANTITUMOR AGENTS STARKS ASSOCIATES, INC. (US) 1981-05-12 US disclosed
US-4215070-A DISODIUM SALT AS ANTITUMOR AGENT STARKS ASSOCIATES, INC. (US) 1980-07-29 US disclosed
US-4179464-A Preparation of N-(phosphonoacetyl)-L-aspartic acid SCHULTZ ROBERT J 1979-12-18 US disclosed
US-4178306-A Preparation of N-(phosphonoacetyl)-L-aspartic acid PARSONS JACK L 1979-12-11 US disclosed
US-4154759-A Preparation of N-(phosphonoacetyl)-L-aspartic acid DUBICKI HENRYK 1979-05-15 US disclosed