SCHEMBL31329313

SCHEMBL31329313

COc1ccc(CCCC(=O)N2CCCCCC2)cc1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
FKBP1A P62942 1/20 0.63
KMT2A Q03164 5/20 0.62
ALDH1A1 P00352 4/20 0.62
TSHR P16473 1/20 0.62
MEN1 O00255 2/20 0.56
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
ALOX5 P09917 1/20 0.55
SIGMAR1 Q99720 1/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
RAB9A P51151 1/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KDM4E B2RXH2 1/20 0.53

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
SCHEMBL31329285 1.00 HPGD (0.66) HPGDSMN1; SMN2FKBP1AKMT2AALDH1A1
SCHEMBL31329280 0.99 FKBP1A (0.64) HPGDSMN1; SMN2FKBP1AKMT2AALDH1A1
SCHEMBL8097185 0.96 SMN1; SMN2 (0.64) HPGDSMN1; SMN2FKBP1AKMT2AALDH1A1
SCHEMBL31329327 0.96 FKBP1A (0.64) HPGDSMN1; SMN2FKBP1AKMT2AALDH1A1
SCHEMBL10305162 0.90 FKBP1A (0.76) HPGDSMN1; SMN2FKBP1AKMT2AALDH1A1
SCHEMBL9556632 0.86 FKBP1A (0.60) HPGDSMN1; SMN2FKBP1AKMT2AALDH1A1
SCHEMBL13068565 0.86 FKBP1A (0.60) HPGDSMN1; SMN2FKBP1AKMT2AALDH1A1
SCHEMBL31329283 0.86 FKBP1A (0.85) HPGDSMN1; SMN2FKBP1AKMT2AALDH1A1
SCHEMBL2833214 0.86 KMT2A (0.69) HPGDSMN1; SMN2FKBP1AKMT2AALDH1A1
SCHEMBL4379159 0.85 ALDH1A1 (0.87) HPGDSMN1; SMN2FKBP1AKMT2AALDH1A1

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
WO-2025041809-A1 METHOD FOR PRODUCING DEUTERATED COMPOUND 国立大学法人九州大学 2025-02-27 WO disclosed