SCHEMBL8399136

SCHEMBL8399136

Cc1cc(C(=O)O)c(C)c2c3c(ccc12)SCCS3

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
MCL1 Q07820 1/20 0.33
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
RARA P10276 4/20 0.30
RARB P10826 4/20 0.30
RARG P13631 4/20 0.30
GRM1 Q13255 1/20 0.30
RXRA P19793 1/20 0.30

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
SCHEMBL8399426 0.76 MAPT (0.31)
SCHEMBL7620903 0.76 MCL1 (0.36) ALDH1A1MCL1KDM4EMEN1KMT2A
SCHEMBL7841595 0.64 KDM4E (0.36) ALDH1A1KDM4EMEN1KMT2ATDP1
SCHEMBL30218698 0.63 ALDH1A1 (0.47) ALDH1A1KDM4EMEN1KMT2ATDP1
SCHEMBL18936275 0.63 ALDH1A1 (0.47) ALDH1A1KDM4EMEN1KMT2ATDP1
SCHEMBL28650743 0.63 ALDH1A1 (0.46) ALDH1A1MCL1KDM4EMEN1KMT2A
SCHEMBL6721499 0.63 NOTUM (0.33) ALDH1A1KDM4EMEN1KMT2ATDP1
SCHEMBL6726207 0.63 RXRA (0.35) KDM4EMEN1KMT2ATDP1RARA
SCHEMBL6977102 0.63 MCL1 (0.31) MCL1
SCHEMBL7620950 0.63 ALDH1A1 (0.40) ALDH1A1KDM4EMEN1KMT2ATDP1

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
US-5885936-A BENZOTHIOPYRAN DERIVATIVES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1999-03-23 US disclosed
EP-0860441-A1 Herbicidal derivatives of 1,4-dithiino(2,3c)benzothiopyran E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-08-26 EP disclosed