SCHEMBL8992226

SCHEMBL8992226

C=COC(=O)CCOC(=O)/C=C\C(=O)OCCC(=O)OC=C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
HCAR2 Q8TDS4 6/20 0.39
MAPT P10636 2/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
TSHR P16473 6/20 0.39
ALDH1A1 P00352 3/20 0.39
TP53 P04637 2/20 0.39
HIF1A Q16665 2/20 0.39
CYP3A4 P08684 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
THRB P10828 2/20 0.30

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
SCHEMBL8427568 0.88 TSHR (0.54) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL27872800 0.79 ALDH1A1 (0.40) MAPTTSHRALDH1A1CYP3A4HSD17B10
SCHEMBL15208637 0.78 MAPT (0.41) ATMHCAR2MAPTCACNA1BAPBA1
SCHEMBL19795367 0.78 TSHR (0.39) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL13114080 0.78 TSHR (0.33) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL9719459 0.78 NAAA (0.44) MAPTTSHRALDH1A1HIF1AHPGD
SCHEMBL3458995 0.77 TSHR (0.47) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL15241 0.77 TSHR (0.38) TSHRALDH1A1
SCHEMBL10991751 0.76 TSHR (0.61) ATMHCAR2TSHRALDH1A1TP53
SCHEMBL8396134 0.76 MAPT (0.31) MAPTTSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5538663-A INCLUDES POLYMER PARTICLES AND SURFACTANT KAO CORPORATION (JP) 1996-07-23 US claimed
US-20150313995-A1 Magnetic Retention of Regenerative Cells for Wound Repair MEDIVATION TECHNOLOGIES, INC. 2015-11-05 US disclosed
US-4265778-A FATTY ACID SALT, INTERPOLYMER OF A MALEIC ANHYDRIDE OR ACID AND A VINYL LACTAM OR VINYL ETHER OR ESTER COLGATE-PALMOLIVE COMPANY (US) 1981-05-05 US disclosed