SCHEMBL9645442

SCHEMBL9645442

CCC(=O)c1ccc(O)c(SC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
HPGD P15428 4/20 0.50
HTT P42858 2/20 0.50
MAPT P10636 5/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 2/20 0.45
TP53 P04637 2/20 0.45
ALOX15 P16050 2/20 0.45
ALOX12 P18054 2/20 0.45
HSD17B10 Q99714 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HSP90AB1 P08238 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
CYP3A4 P08684 1/20 0.40
PTGS1 P23219 1/20 0.40
DRD3 P35462 1/20 0.40
THRA P10827 1/20 0.39

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
SCHEMBL10651588 0.84 PTPN1 (0.48) ALDH1A1HPGDHTTMAPTMEN1
SCHEMBL997660 0.81 MAPT (0.49) ALDH1A1HPGDHTTMAPTMEN1
SCHEMBL1545562 0.79 PKM (0.52) ALDH1A1HPGDHTTMAPTMEN1
SCHEMBL4476255 0.79 CA12 (0.57) ALDH1A1HPGDHTTMAPTMEN1
SCHEMBL27907766 0.79 CA12 (0.58) ALDH1A1HPGDHTTMAPTMEN1
SCHEMBL2991009 0.79 CA12 (0.58) ALDH1A1HPGDHTTMAPTMEN1
SCHEMBL30389755 0.79 CA12 (0.58) ALDH1A1HPGDHTTMAPTMEN1
SCHEMBL11884043 0.78 ALDH1A1 (0.53) ALDH1A1HPGDHTTMAPTMEN1
SCHEMBL28278468 0.77 MAPT (0.51) ALDH1A1HPGDHTTMAPTMEN1
SCHEMBL27883272 0.77 ATM (0.42) ALDH1A1HPGDHTTMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1143675-C Heteroarylpiperidines, pyrrolidines and piprazines and their use as antipsychotics and analgetics ���µ�˹ҩ�﹫˾ 2004-03-31 CN disclosed
CN-1136275-A Arylheterocyclylpiperidines, pyrrolidines and piperazines and their use as antipsychotics and analgesics HOECHST ROUSSEL PHARMA (US) 1996-11-20 CN disclosed
US-5113019-A PROCESS FOR PHENOL ALKYLTHIOLATION AND ITS APPLICATION TO THE SYNTHESIS OF 4-ACYL-2-ALKYLTHIOPHENOLS SOCIETE NATIONALE ELF AQUITAINE (PRODUCTION) (FR) 1992-05-12 US disclosed
US-4751246-A ALPHA(AMINOALKYL)-4-HYDROXY-3-(ALKYLSULFINYL) BENZENEMETHANOL AND 2-(4-HYDROXY-3-(ALKYLSULFINYL) PHENYL)ETHYLAMINE-HYPOTENSIVE AGENTS STERLING DRUG INC. (US) 1988-06-14 US disclosed
US-4695589-A HYPOTENSIVE AGENTS STERLING DRUG INC. (US) 1987-09-22 US disclosed
US-4452816-A HYPOTENSIVE AND ANTIARRHYTHMIA AGENTS STERLING DRUG INC. (US) 1984-06-05 US disclosed
US-4374149-A HYPOTENSIVE AGENT AND VASODILATOR STERLING DRUG INC. (US) 1983-02-15 US disclosed