SCHEMBL8109924

SCHEMBL8109924

CC1(C)CCc2cc(C(=O)O)ccc2S1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
BLM P54132 1/20 0.47
GRM1 Q13255 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM1A O60341 2/20 0.46
RXRA P19793 4/20 0.44
RARB P10826 10/20 0.41
RARG P13631 9/20 0.41
RARA P10276 8/20 0.41
CYP26A1 O43174 1/20 0.41
CYP26B1 Q9NR63 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 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
SCHEMBL5826295 0.88 MAPT (0.45) KDM4EMAPTALDH1A1POLBBLM
SCHEMBL8117958 0.84 CYP3A4 (0.36) KDM4EMAPTALDH1A1POLBBLM
SCHEMBL8458491 0.73 ALDH1A1 (0.65) KDM4EMAPTALDH1A1POLBBLM
SCHEMBL8109768 0.73 KDM1A (0.40) KDM4EMAPTTDP1MEN1KMT2A
SCHEMBL18144884 0.73 KDM4E (0.42) KDM4EMAPTALDH1A1POLBBLM
SCHEMBL7698960 0.72 RARB (0.57) KDM4EALDH1A1POLBBLMCYP2C19
SCHEMBL8109758 0.72 RARA (0.44) KDM4EMAPTALDH1A1POLBBLM
SCHEMBL7759522 0.71 ALDH1A1 (0.52) KDM4EMAPTALDH1A1POLBBLM
SCHEMBL17551922 0.71 KDM4E (0.60) KDM4EMAPTALDH1A1POLBBLM
SCHEMBL18213884 0.71 KDM4E (0.60) KDM4EMAPTALDH1A1POLBBLM

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
CN-1285830-A Pyridylpyrrole derivatives SANKYO CO (JP) 2001-02-28 CN disclosed
EP-1031572-A1 PYRIDYLPYRROLE DERIVATIVES Sankyo Company Limited (JP) 2000-08-30 EP disclosed