SCHEMBL5316486

SCHEMBL5316486

COC(=O)c1cccc(SC2CCCCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.55
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
PDE4D Q08499 1/20 0.42
PDE7A Q13946 1/20 0.42
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
TSHR P16473 1/20 0.42
PPM1D O15297 1/20 0.42
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 1/20 0.41
NPC1 O15118 1/20 0.41
EPHX2 P34913 1/20 0.41

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
SCHEMBL2565423 0.99 HPGD (0.53) HPGDALDH1A1SMN1; SMN2ATMNPSR1
SCHEMBL27950377 0.86 HPGD (0.41) HPGDALDH1A1SMN1; SMN2L3MBTL1KMT2A
SCHEMBL1000953 0.85 ALDH1A1 (0.50) ALDH1A1ATMKMT2ACYP4F2CYP4A11
SCHEMBL6484438 0.82 HPGD (0.56) HPGDALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL2792773 0.82 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KMT2ANPC1
SCHEMBL507527 0.82 HPGD (0.56) HPGDALDH1A1SMN1; SMN2ATMNPSR1
SCHEMBL2565719 0.81 HDAC8 (0.49) SMN1; SMN2L3MBTL1KDM4EKMT2APOLB
SCHEMBL28188608 0.81 OPRM1 (0.55) GAAEPHX2
SCHEMBL2568668 0.80 HPGD (0.58) HPGDALDH1A1KDM4EKMT2AGAA
SCHEMBL5317296 0.79 ATM (0.50) HPGDALDH1A1SMN1; SMN2ATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007064869-A2 CATALYSTS FOR ARYL SULFIDE SYNTHESIS AND METHOD OF PRODUCING ARYL SULFIDES YALE UNIVERSITY (US) 2007-06-07 WO disclosed
WO-2007064869-A2 CATALYSTS FOR ARYL SULFIDE SYNTHESIS AND METHOD OF PRODUCING ARYL SULFIDES YALE UNIVERSITY (US) 2007-06-07 WO disclosed