SCHEMBL28872149

SCHEMBL28872149

CCC(C(=O)O)(C(=O)Cc1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 2/20 0.50
▸ CES2 O00748 1/20 0.44
▸ AKR1B1 P15121 1/20 0.44
▸ CTBP2 P56545 1/20 0.41
▸ CYP2C19 P33261 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ PAM P19021 1/20 0.40
▸ PTPN1 P18031 1/20 0.39
▸ RIPK1 Q13546 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ DRD2 P14416 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ HIF1A Q16665 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ FNTA P49354 1/20 0.38

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
SCHEMBL8903497 0.84 OPRM1 (0.49) CES1CES2CYP2C19CYP1A2KMT2A
SCHEMBL2291949 0.83 CYP2C19 (0.47) CYP2C19CYP1A2MEN1KMT2AHDAC8
SCHEMBL28316424 0.81 CYP2C19 (0.45) CYP2C19CYP1A2MEN1KMT2AHDAC8
SCHEMBL28875698 0.81 CYP2C19 (0.45) CYP2C19CYP1A2MEN1KMT2AHDAC8
SCHEMBL21269854 0.81 CYP2C19 (0.45) CYP2C19CYP1A2MEN1KMT2AHDAC8
SCHEMBL21268799 0.81 CYP2C19 (0.45) CYP2C19CYP1A2MEN1KMT2AHDAC8
SCHEMBL28314575 0.81 CYP2C19 (0.45) CYP2C19CYP1A2MEN1KMT2AHDAC8
SCHEMBL21269982 0.81 CYP2C19 (0.45) CYP2C19CYP1A2MEN1KMT2AHDAC8
SCHEMBL8904079 0.81 CES2 (0.42) CES1CES2CYP2C19CYP1A2DRD2
SCHEMBL28314612 0.80 CYP2C19 (0.44) CYP2C19CYP1A2MEN1KMT2AHDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113913416-B Preparation process of alcaligenes faecalis penicillin G acylase 巢湖学院 2022-03-22 — — CN claimed
CN-113913416-A Preparation process of alcaligenes faecalis penicillin G acylase 巢湖学院 2022-01-11 — — CN claimed
CN-113913416-B Preparation process of alcaligenes faecalis penicillin G acylase 巢湖学院 2022-03-22 — — CN disclosed
CN-113913416-B Preparation process of alcaligenes faecalis penicillin G acylase 巢湖学院 2022-03-22 — — CN disclosed
CN-113913416-A Preparation process of alcaligenes faecalis penicillin G acylase 巢湖学院 2022-01-11 — — CN disclosed
CN-113913416-A Preparation process of alcaligenes faecalis penicillin G acylase 巢湖学院 2022-01-11 — — CN disclosed
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