SCHEMBL10550574

SCHEMBL10550574

COC(=O)c1cccc(C=O)c1OCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.51
KMT2A Q03164 2/20 0.44
CD69 Q07108 3/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
ALDH1A1 P00352 6/20 0.42
POLB P06746 2/20 0.42
RAB9A P51151 1/20 0.42
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPK10 P53779 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 3/20 0.39
MAPT P10636 3/20 0.39
BACE1 P56817 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 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
SCHEMBL15753790 0.83 LMNA (0.53) KMT2AALDH1A1RAB9ALMNATSHR
SCHEMBL15762675 0.82 CYP1A2 (0.48) CA1CA2ALDH1A1POLBRAB9A
SCHEMBL4215159 0.82 CA1 (0.59) KMT2ACA1CA2ALDH1A1POLB
SCHEMBL2554736 0.79 PTGDR2 (0.62) PTGDR2KMT2ACD69CA1CA2
SCHEMBL9774310 0.79 POLB (0.57) KMT2ACD69ALDH1A1POLBRAB9A
SCHEMBL4746689 0.79 PTGDR2 (0.57) PTGDR2KMT2ACD69CA1CA2
SCHEMBL14042113 0.78 PTGDR2 (0.55) PTGDR2KMT2ACD69CA1CA2
SCHEMBL10695461 0.78 CA1 (0.46) CA1CA2ALDH1A1POLBRAB9A
Benzene SCHEMBL28217563 0.76 TSHR (0.55) KMT2ACA1CA2ALDH1A1POLB
SCHEMBL23111641 0.76 PTGDR2 (0.57) PTGDR2KMT2ACD69CA1CA2

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