SCHEMBL18476724

SCHEMBL18476724

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.42
▸ KMT2A Q03164 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ESR1 P03372 2/20 0.38
▸ ESR2 Q92731 2/20 0.38
▸ PARP10 Q53GL7 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ TP53 P04637 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ THRB P10828 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ POLB P06746 1/20 0.36

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
SCHEMBL13765230 0.89 ELANE (0.46) ADORA3KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL18567241 0.85 ADORA3 (0.45) ADORA3KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL10353823 0.82 ADORA3 (0.48) ADORA3KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL18411203 0.82 ADORA3 (0.48) ADORA3KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL12810378 0.80 ELANE (0.38) ADORA3KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL12134134 0.78 ADORA3 (0.53) ADORA3KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL13979409 0.77 ESR1 (0.63) ADORA3KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL14532269 0.77 ELANE (0.54) ADORA3SMN1; SMN2ESR1ESR2ALDH1A1
SCHEMBL14781031 0.77 ESR1 (0.57) ADORA3KMT2ANPC1RAB9AESR1
SCHEMBL18945321 0.77 SLC6A4 (0.49) ADORA3KMT2ASMN1; SMN2HPGDESR1

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-20170037243-A1 HIGH HEAT POLYCARBONATE COMPOSITIONS SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2017-02-09 — — US disclosed
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