SCHEMBL18649397

SCHEMBL18649397

CCOc1cc(Cl)cc2c1OC(C)(C)C2

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.49
FFAR4 Q5NUL3 9/20 0.43
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL4752959 0.85 HTR2A (0.47) HTR2AFFAR4ALDH1A1LMNA
SCHEMBL17523384 0.84 HTR2A (0.49) HTR2AFFAR4KMT2AALDH1A1LMNA
SCHEMBL17525884 0.83 ALDH1A1 (0.39) HTR2AKMT2APOLBALDH1A1LMNA
SCHEMBL28493074 0.83 DHFR (0.40) HTR2AKMT2APOLBALDH1A1LMNA
SCHEMBL4753146 0.82 HTR2A (0.47) HTR2AFFAR4KMT2AALDH1A1
SCHEMBL5781658 0.82 KMT2A (0.36) HTR2AKMT2APOLBALDH1A1LMNA
SCHEMBL16111361 0.79 FFAR4 (0.47) HTR2AFFAR4KMT2AALDH1A1
SCHEMBL5786517 0.78 KDM4E (0.43) KMT2APOLBALDH1A1LMNA
SCHEMBL9201225 0.77 FFAR4 (0.47) HTR2AFFAR4LMNA
SCHEMBL4752981 0.77 LMNA (0.45) HTR2AFFAR4KMT2APOLBLMNA

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-9598390-B2 Bicyclo[2.2.2]acid GPR120 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-21 US disclosed