SCHEMBL28661908

SCHEMBL28661908

Cc1ccc(OP(=O)(NC2CCCCC2)Oc2ccc(C)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP1A2 P05177 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49
CYP3A4 P08684 2/20 0.48
TSHR P16473 2/20 0.48
MEN1 O00255 7/20 0.46
KMT2A Q03164 7/20 0.46
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
ALDH1A1 P00352 2/20 0.45
NPSR1 Q6W5P4 1/20 0.44
HSP90AA1 P07900 1/20 0.43
GAA P10253 1/20 0.43
EPHX1 P07099 1/20 0.43
MMP13 P45452 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL29351802 0.83 ALDH1A1 (0.50) RAB9ASMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL4838762 0.83 ALDH1A1 (0.50) RAB9ASMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL11799457 0.80 KDM4E (0.45) NPC1RAB9ASMN1; SMN2CYP1A2HPGD
SCHEMBL778322 0.76 CYP3A4 (0.52) NPC1RAB9ASMN1; SMN2CYP1A2HPGD
SCHEMBL11351336 0.73 CYP3A4 (0.58) NPC1RAB9ASMN1; SMN2CYP1A2HPGD
SCHEMBL28658509 0.72 CYP3A4 (0.61) CYP3A4TSHRMEN1KMT2AMAPT
SCHEMBL28665441 0.72 GLA (0.40) SMN1; SMN2MEN1KMT2AALDH1A1NPSR1
SCHEMBL28982488 0.72 MEN1 (0.66) HPGDCYP3A4TSHRMEN1KMT2A
SCHEMBL7740490 0.69 MEN1 (0.70) CYP1A2CYP2C19CYP3A4TSHRMEN1
SCHEMBL131942 0.69 MEN1 (0.70) CYP1A2CYP2C19CYP3A4TSHRMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113801254-A Polypropylene catalyst and preparation method thereof 中国石油天然气股份有限公司 2021-12-17 CN disclosed