SCHEMBL31329280

SCHEMBL31329280

COc1ccc(CCCC(=O)N2CCCC2)cc1

nearest known ligand 0.89

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.64
SMN1; SMN2 Q16637 2/20 0.63
HPGD P15428 2/20 0.63
KMT2A Q03164 3/20 0.60
ALDH1A1 P00352 2/20 0.60
TSHR P16473 1/20 0.60
MEN1 O00255 1/20 0.57
ALOX5 P09917 1/20 0.56
SIGMAR1 Q99720 1/20 0.55
KDM4E B2RXH2 1/20 0.54
MAPT P10636 1/20 0.54
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 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 0.99 HPGD (0.66) FKBP1ASMN1; SMN2HPGDKMT2AALDH1A1
SCHEMBL31329313 0.99 HPGD (0.66) FKBP1ASMN1; SMN2HPGDKMT2AALDH1A1
SCHEMBL31329327 0.97 FKBP1A (0.64) FKBP1ASMN1; SMN2HPGDKMT2AALDH1A1
SCHEMBL8097185 0.94 SMN1; SMN2 (0.64) FKBP1ASMN1; SMN2HPGDKMT2AALDH1A1
SCHEMBL10305162 0.91 FKBP1A (0.76) FKBP1ASMN1; SMN2HPGDKMT2AALDH1A1
SCHEMBL31329283 0.87 FKBP1A (0.85) FKBP1ASMN1; SMN2HPGDKMT2AALDH1A1
SCHEMBL13068565 0.87 FKBP1A (0.60) FKBP1ASMN1; SMN2HPGDKMT2AALDH1A1
SCHEMBL9556632 0.87 FKBP1A (0.60) FKBP1ASMN1; SMN2HPGDKMT2AALDH1A1
SCHEMBL2833214 0.87 KMT2A (0.69) FKBP1ASMN1; SMN2HPGDKMT2AALDH1A1
SCHEMBL14218056 0.86 SIGMAR1 (0.60) FKBP1ASMN1; SMN2KMT2AALDH1A1TSHR

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