SCHEMBL18411203

SCHEMBL18411203

CCC(=O)Oc1ccc(C2(c3ccc(OC(C)C)cc3)CCCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.48
▸ ESR1 P03372 3/20 0.44
▸ HIF1A Q16665 2/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ RECQL P46063 1/20 0.43
▸ PPARA Q07869 1/20 0.42
▸ ELANE P08246 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ ESR2 Q92731 1/20 0.38

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
SCHEMBL14108149 0.85 ADORA3 (0.51) ADORA3ESR1HIF1AKMT2ASMN1; SMN2
SCHEMBL18567241 0.85 ADORA3 (0.45) ADORA3ESR1KMT2ASMN1; SMN2PPARA
SCHEMBL13765230 0.84 ELANE (0.46) ADORA3ESR1KMT2ASMN1; SMN2PPARA
SCHEMBL12134134 0.83 ADORA3 (0.53) ADORA3ESR1KMT2ASMN1; SMN2PPARA
SCHEMBL18476724 0.82 ADORA3 (0.42) ADORA3ESR1KMT2ASMN1; SMN2PPARA
SCHEMBL10353823 0.82 ADORA3 (0.48) ADORA3ESR1KMT2ASMN1; SMN2ELANE
SCHEMBL14280383 0.79 ADORA3 (0.45) ADORA3ESR1HIF1AKMT2ASMN1; SMN2
SCHEMBL12810378 0.77 ELANE (0.38) ADORA3ESR1KMT2ASMN1; SMN2PPARA
SCHEMBL13660290 0.77 ADORA3 (0.50) ADORA3KMT2ASMN1; SMN2PPARAALDH1A1
SCHEMBL13979409 0.77 ESR1 (0.63) ADORA3ESR1KMT2ASMN1; SMN2ALDH1A1

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
US-20170022361-A1 HIGH HEAT POLYCARBONATE COMPOSITIONS SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2017-01-26 — — US disclosed
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