SCHEMBL9751544

SCHEMBL9751544

CCCC(=O)Oc1csc2ccc(C)cc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.43
MAPT P10636 8/20 0.41
POLB P06746 1/20 0.41
CA2 P00918 3/20 0.40
LMNA P02545 2/20 0.40
HSD17B10 Q99714 1/20 0.40
TP53 P04637 3/20 0.40
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
KMT2A Q03164 1/20 0.39
BCL9 O00512 1/20 0.38
CTNNB1 P35222 1/20 0.38
THRB P10828 2/20 0.36
USP2 O75604 1/20 0.36
MTNR1A P48039 1/20 0.36
LDHA P00338 1/20 0.35
LDHB P07195 1/20 0.35

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
SCHEMBL28073631 0.76 CYP3A4 (0.40) ALOX15MAPTCA2LMNAHSD17B10
SCHEMBL248716 0.75 ALDH1A1 (0.53) LMNAALDH1A1KDM4E
SCHEMBL28073642 0.74 ALOX15 (0.40) ALOX15MAPTCA2LMNAHSD17B10
SCHEMBL22444603 0.74 MAPT (0.48) ALOX15MAPTLMNAHSD17B10TP53
SCHEMBL22444645 0.73 ALOX15 (0.50) ALOX15MAPTLMNAHSD17B10TP53
SCHEMBL4085618 0.73 ALOX15 (0.54) ALOX15MAPTLMNAHSD17B10ALDH1A1
SCHEMBL20398414 0.72 KMT2A (0.47) ALOX15MAPTCA2LMNAHSD17B10
SCHEMBL20398639 0.72 KMT2A (0.47) ALOX15MAPTCA2LMNAHSD17B10
SCHEMBL9220024 0.72 MAPT (0.39) MAPTPOLBCA2LMNATP53
SCHEMBL31321628 0.72 ALOX15 (0.52) ALOX15MAPTHSD17B10ALDH1A1GAA

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-0422119-A4 BENZOTHIOPHENE DERIVATIVES USEFUL FOR MODIFYING FEEDING BEHAVIOR AND OBSESSIVE-COMPULSIVE BEHAVIOR 1991-11-13 EP disclosed
EP-0422119-A1 BENZOTHIOPHENE DERIVATIVES USEFUL FOR MODIFYING FEEDING BEHAVIOR AND OBSESSIVE-COMPULSIVE BEHAVIOR NEUREX CORPORATION (US) 1991-04-17 EP disclosed
WO-1989012447-A1 BENZOTHIOPHENE DERIVATIVES USEFUL FOR MODIFYING FEEDING BEHAVIOR AND OBSESSIVE-COMPULSIVE BEHAVIOR NEUREX CORPORATION (US) 1989-12-28 WO disclosed