SCHEMBL8019398

SCHEMBL8019398

CCCCSCc1ccc(CSCCCC)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
MAPT P10636 3/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RECQL P46063 1/20 0.39
CYP2C19 P33261 2/20 0.38
TP53 P04637 1/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
GAA P10253 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 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
SCHEMBL8999593 0.93 TYR (0.41) LMNAMAPTALDH1A1KDM4ETP53
SCHEMBL29281816 0.91 RECQL (0.50) LMNAMAPTALDH1A1KDM4ERECQL
SCHEMBL28263074 0.91 LPL (0.41) LMNAMAPTALDH1A1KDM4ECYP2C19
SCHEMBL29388293 0.91 ESR1 (0.42) LMNAMAPTALDH1A1KDM4ETP53
SCHEMBL6075249 0.91 ESR1 (0.42) LMNAMAPTALDH1A1KDM4ETP53
SCHEMBL10745266 0.89 ESR1 (0.52) LMNAMAPTALDH1A1KDM4ETP53
SCHEMBL14443894 0.89 CYP1A2 (0.49) LMNAALDH1A1KDM4ETDP1CYP2C19
SCHEMBL425182 0.89 SMN1; SMN2 (0.50) LMNAALDH1A1CYP2C19HTTSMN1; SMN2
SCHEMBL14443962 0.89 PSMD14 (0.42) LMNAMAPTALDH1A1TP53HTT
SCHEMBL2561339 0.89 CYP2C19 (0.52) LMNAMAPTALDH1A1KDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0705857-B1 A process for producing polymers of alpha,omega-unsaturated conjugated compounds AVENTIS RES & TECH GMBH & CO (DE) 2000-01-19 EP disclosed
US-5763539-A Process for producing polymers of α,ω-unsaturated conjugated compounds HOECHST AKTIENGESELLSCHAFT (DE) 1998-06-09 US disclosed
EP-0705857-A2 A process for producing polymers of alpha,omega-unsaturated conjugated compounds HOECHST AKTIENGESELLSCHAFT (DE) 1996-04-10 EP disclosed