SCHEMBL23514968

SCHEMBL23514968

BC(C)(C)c1ccc(SNC(=O)C(Oc2ccc(C(=O)OC)cc2C(B)(B)C(B)(B)C(B)(B)B)c2ccc3c(c2)OCO3)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 4/20 0.36
EDNRB P24530 2/20 0.36
KMT2A Q03164 2/20 0.35
NPC1 O15118 6/20 0.34
RAB9A P51151 6/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CASP3 P42574 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 3/20 0.33
LMNA P02545 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
TP53 P04637 3/20 0.33
TSHR P16473 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33

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
SCHEMBL23515230 0.93 EDNRA (0.43) EDNRAEDNRBNPC1RAB9ASMN1; SMN2
SCHEMBL23515205 0.82 EDNRA (0.44) EDNRAEDNRBNPC1RAB9ASMN1; SMN2
SCHEMBL23514980 0.76 ALDH1A1 (0.36) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL23514982 0.75 EDNRA (0.63) EDNRAEDNRBSMN1; SMN2ADRB2ADRB1
SCHEMBL23514971 0.73 EDNRA (0.39) EDNRAEDNRBKMT2ANPC1RAB9A
SCHEMBL25013425 0.71 EDNRA (0.70) EDNRAEDNRB
SCHEMBL795156 0.67 KMT2A (0.38) EDNRAEDNRBKMT2AALDH1A1MEN1
SCHEMBL23514947 0.66 ALDH1A1 (0.35) EDNRAEDNRBNPC1RAB9ASMN1; SMN2
SCHEMBL7337610 0.65 EDNRA (0.73) EDNRAEDNRBSMN1; SMN2ALDH1A1LMNA
SCHEMBL8789773 0.65 EDNRA (0.58) EDNRAEDNRBKMT2ANPC1RAB9A

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-2021118826-A1 DEUTERIUM-ENRICHED SUBSTITUTED PHENOXYPHENYL ACETIC ACIDS AND ACYLSULFONAMIDES DHANOA DALJIT (US) 2021-06-17 WO disclosed