SCHEMBL8441165

SCHEMBL8441165

COc1ccc(S(=O)(=O)NCCSC(C(=O)O)c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C19 P33261 1/20 0.59
ALDH1A1 P00352 9/20 0.55
POLB P06746 2/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
PKM P14618 1/20 0.52
HTT P42858 2/20 0.49
HSD17B10 Q99714 2/20 0.49
MAPT P10636 1/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
RECQL P46063 1/20 0.49
TBXA2R P21731 1/20 0.49
TSHR P16473 1/20 0.49
CYP19A1 P11511 1/20 0.48
KEAP1 Q14145 1/20 0.48
KCNA5 P22460 1/20 0.47
USP2 O75604 1/20 0.47

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
SCHEMBL8441161 0.84 TBXA2R (0.52) KDM4ECYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL8441437 0.84 TBXA2R (0.52) ALDH1A1POLBPKMHTTMAPT
SCHEMBL8438050 0.84 ALDH1A1 (0.59) ALDH1A1POLBSMN1; SMN2PKMHTT
SCHEMBL8440900 0.84 ALDH1A1 (0.56) KDM4ECYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL8442663 0.81 KMT2A (0.53) ALDH1A1PKMMAPTTBXA2RCYP19A1
SCHEMBL8439085 0.79 TBXA2R (0.43) KDM4EALDH1A1POLBPKMHTT
SCHEMBL8442597 0.78 TBXA2R (0.58) KDM4ECYP3A4ALDH1A1POLBSMN1; SMN2
SCHEMBL8441524 0.75 TBXA2R (0.50) KDM4ECYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL8441169 0.75 ALDH1A1 (0.63) KDM4ECYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL8440906 0.74 ALDH1A1 (0.58) KDM4ECYP3A4CYP2D6CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5955505-A TREATING NERVE DEGENERATIVE DISORDERS NIPPON SUISAN KAISHA, LTD. (JP) 1999-09-21 US disclosed