SCHEMBL9738536

SCHEMBL9738536

COC(=O)c1ccc2c(c1)C(N1CCCC1=O)=C(CO)C(C)(C)O2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ATM Q13315 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CNR2 P34972 1/20 0.38
USP2 O75604 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
ALOX15 P16050 1/20 0.36
CASP3 P42574 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL9737676 0.89 ALDH1A1 (0.39) ALDH1A1HPGDNPSR1USP2RAB9A
SCHEMBL9733029 0.84 ALDH1A1 (0.38) ALDH1A1HPGDSMN1; SMN2ATMNPSR1
SCHEMBL9737580 0.83 SMN1; SMN2 (0.35) ALDH1A1HPGDSMN1; SMN2USP2NPC1
SCHEMBL9737143 0.81 ALDH1A1 (0.36) ALDH1A1HPGDSMN1; SMN2ATMNPSR1
SCHEMBL9739182 0.80 ABCC9 (0.46) SMN1; SMN2LMNATSHRCASP3
SCHEMBL9735138 0.80 KMT2A (0.40) ALDH1A1SMN1; SMN2RAB9APOLBTSHR
SCHEMBL9738703 0.77 CNR2 (0.38) ALDH1A1SMN1; SMN2CNR2NPC1RAB9A
SCHEMBL9735371 0.76 ALDH1A1 (0.37) ALDH1A1HPGDSMN1; SMN2ATMNPSR1
SCHEMBL9147849 0.74 NR1H4 (0.41) ALDH1A1HPGDUSP2RAB9AMEN1
SCHEMBL9150608 0.74 ABCC9 (0.41) ALDH1A1HPGDSMN1; SMN2USP2POLB

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
US-5143924-A OXODIHYDROPYRIDYL CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-09-01 US disclosed