SCHEMBL10550563

SCHEMBL10550563

COC(=O)c1cccc2c(C(C)=O)c(C)oc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
MAPT P10636 9/20 0.44
ALDH1A1 P00352 4/20 0.44
LMNA P02545 3/20 0.44
NR4A2 P43354 2/20 0.41
TP53 P04637 3/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
CFTR P13569 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CXCR2 P25025 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39

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
SCHEMBL10550378 0.85 CYP2C19 (0.48) GAAMAPTALDH1A1LMNATP53
SCHEMBL10547539 0.83 NR4A2 (0.44) MAPTALDH1A1LMNANR4A2TSHR
SCHEMBL3965291 0.82 KMT2A (0.44) MAPTALDH1A1LMNANR4A2TSHR
SCHEMBL68630 0.81 LMNA (0.50) MAPTALDH1A1LMNANR4A2TSHR
SCHEMBL28853940 0.81 NR4A2 (0.42) MAPTALDH1A1LMNANR4A2TSHR
SCHEMBL7832336 0.75 GAA (0.55) GAAMAPTALDH1A1LMNATP53
SCHEMBL7823819 0.75 GPR35 (0.53) GAAMAPTALDH1A1LMNATP53
SCHEMBL516174 0.74 KDM4E (0.53) ALDH1A1LMNATSHRKMT2ANPC1
SCHEMBL3967537 0.72 GAA (0.41) GAAMAPTALDH1A1LMNATP53
Aniline SCHEMBL3829674 0.72 ALDH1A1 (0.51) GAAMAPTALDH1A1LMNANR4A2

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-4829067-A INHIBITORS OF REFLECTIVE CONTRACTION OF BLADDER TANABE SEIYAKU CO., LTD. (JP) 1989-05-09 US disclosed
EP-0270342-A2 A benzo-furan (or -thiophene) derivative and processes for preparing the same Tanabe Seiyaku Co., Ltd. (JP) 1988-06-08 EP disclosed