SCHEMBL6684009

SCHEMBL6684009

COc1ccc(S(=O)(=O)c2[nH]c3ccccc3c2CCCCCCCCCCCCCCCCO)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
POLB P06746 1/20 0.46
CNR1 P21554 1/20 0.46
ALOX5 P09917 1/20 0.46
CYP19A1 P11511 5/20 0.45
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PTGS2 P35354 1/20 0.43
PTGS1 P23219 1/20 0.42
OXTR P30559 1/20 0.42
AVPR1A P37288 1/20 0.42
LMNA P02545 1/20 0.41
TSHR P16473 2/20 0.41
HTT P42858 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C19 P33261 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
SCHEMBL6682810 1.00 KDM4E (0.46) KDM4EPOLBCNR1ALOX5CYP19A1
SCHEMBL6681781 1.00 KDM4E (0.46) KDM4EPOLBCNR1ALOX5CYP19A1
SCHEMBL6682377 0.73 PTGS2 (0.50) KDM4ECNR1ALDH1A1SMN1; SMN2MEN1
SCHEMBL7276190 0.72 KDM4E (0.56) KDM4ECNR1CYP19A1ALDH1A1SMN1; SMN2
SCHEMBL8983663 0.72 KDM4E (0.59) KDM4EPOLBCNR1ALDH1A1MEN1
SCHEMBL4231056 0.71 EGFR (0.46) CNR1CYP19A1ALDH1A1SMN1; SMN2PTGS2
SCHEMBL4219487 0.70 MAPT (0.53) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4430853 0.70 ALDH1A1 (0.60) KDM4EPOLBALDH1A1MEN1KMT2A
SCHEMBL4233003 0.67 MAPT (0.50) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL29386220 0.67 ALDH1A1 (0.57) KDM4EPOLBCNR1ALDH1A1TSHR

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
EP-1474390-A1 INDOLE DERIVATIVES SUBSTITUTED WITH LONG-CHAIN ALCOHOLS AND MEDICAMENTS CONTAINING THEM Meiji Dairies Corporation (JP) 2004-11-10 EP disclosed
WO-2003068741-A1 INDOLE DERIVATIVES SUBSTITUTED WITH LONG-CHAIN ALCOHOLS AND MEDICAMENTS CONTAINING THEM MEIJI DAIRIES CORPORATION (JP) 2003-08-21 WO disclosed