SCHEMBL23837192

SCHEMBL23837192

CCC(=O)N[C@@H](C)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ SPHK1 Q9NYA1 7/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 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
SCHEMBL18431341 0.87 SMN1; SMN2 (0.48) NPC1RAB9ASMN1; SMN2SPHK1GAA
SCHEMBL23837193 0.87 SMN1; SMN2 (0.48) NPC1RAB9ASMN1; SMN2SPHK1GAA
SCHEMBL16410506 0.87 PTPN1 (0.51) NPC1RAB9ASMN1; SMN2GAAMAPT
SCHEMBL29167418 0.85 NPC1 (0.36) NPC1RAB9ASMN1; SMN2SPHK1ATM
SCHEMBL24427130 0.84 MAPT (0.56) NPC1RAB9ASMN1; SMN2HDAC3HDAC4
SCHEMBL20580635 0.84 RAB9A (0.48) NPC1RAB9ASMN1; SMN2ATMGAA
SCHEMBL23933133 0.84 RAB9A (0.48) NPC1RAB9ASMN1; SMN2ATMGAA
SCHEMBL11808323 0.83 MAPT (0.56) NPC1RAB9ASMN1; SMN2ATMGAA
SCHEMBL23071786 0.82 SMN1; SMN2 (0.39) NPC1RAB9ASMN1; SMN2SPHK1HDAC3
SCHEMBL22546078 0.82 SMN1; SMN2 (0.43) NPC1RAB9ASMN1; SMN2SPHK1GAA

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
EP-3882349-A1 (ANTI-CDH6 ANTIBODY)-(PYRROLOBENZODIAZEPINE DERIVATIVE) CONJUGATE Daiichi Sankyo Company, Limited (JP) 2021-09-22 — — EP disclosed
Send feedback