SCHEMBL23693962

SCHEMBL23693962

Cc1ccc2c(c1)oc1cc(C(=O)O)ccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 7/20 0.57
▸ ALDH1A1 P00352 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ PTGER1 P34995 1/20 0.46
▸ PTGER3 P43115 1/20 0.46
▸ PTGER2 P43116 1/20 0.46
▸ PTGDR Q13258 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ SRD5A2 P31213 1/20 0.46
▸ MAPT P10636 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ PTGER4 P35408 1/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43

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
SCHEMBL27147943 0.92 TTR (0.53) TTRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL69226 0.89 TTR (0.68) TTRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL30175920 0.89 TTR (0.68) TTRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2628175 0.84 TTR (0.70) TTRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11768568 0.81 TTR (0.65) TTRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL10110990 0.81 CA12 (0.45) TTRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9927267 0.80 MAOB (0.53) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL16714053 0.80 TTR (0.84) TTRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL10623602 0.79 TTR (0.83) TTRALDH1A1MEN1KMT2AHPGD
SCHEMBL2013077 0.79 TTR (0.53) TTRALDH1A1MEN1KMT2AHPGD

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
WO-2021147882-A1 DIBENZOFURAN DERIVATIVE CATHEPSIN K INHIBITOR, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 深圳信立泰药业股份有限公司 2021-07-29 — — WO disclosed
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