SCHEMBL6151065

SCHEMBL6151065

CC(C)(C=CCl)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
TSHR P16473 2/20 0.40
ALDH1A1 P00352 3/20 0.38
TAAR1 Q96RJ0 1/20 0.38
ALOX15 P16050 1/20 0.38
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
CYP3A4 P08684 1/20 0.37
KCNN4 O15554 3/20 0.36
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2B6 P20813 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
SCHEMBL11879395 0.79 TSHR (0.44) MAPK1TSHRALDH1A1TAAR1ALOX15
SCHEMBL11879399 0.79 TSHR (0.44) MAPK1TSHRALDH1A1TAAR1ALOX15
SCHEMBL10382218 0.78 MAPK1 (0.42) MAPK1TSHRALDH1A1TAAR1ALOX15
SCHEMBL95942 0.76 MAPK1 (0.41) MAPK1TSHRALDH1A1TAAR1ALOX15
SCHEMBL95943 0.76 MAPK1 (0.41) MAPK1TSHRALDH1A1TAAR1ALOX15
SCHEMBL28668461 0.75 TSHR (0.43) MAPK1TSHRALDH1A1TAAR1ALOX15
SCHEMBL737574 0.75 MAPK1 (0.44) MAPK1TSHRALDH1A1TAAR1ALOX15
SCHEMBL6546422 0.74 CYP2C19 (0.50) MAPK1TSHRALDH1A1CYP2C19
SCHEMBL4789182 0.74 CYP2C19 (0.50) MAPK1TSHRALDH1A1CYP2C19
SCHEMBL9858424 0.73 ALDH1A1 (0.41) MAPK1TSHRALDH1A1TAAR1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166616-B2 Substituted alkanoic acids AVENTIS PHARMA LIMITED (GB) 2007-01-23 US disclosed
EP-1409440-A4 A METHOD TO INHIBIT ETHYLENE RESPONSES IN PLANTS ROHM & HAAS (US) 2005-09-14 EP disclosed
EP-1409440-A1 A METHOD TO INHIBIT ETHYLENE RESPONSES IN PLANTS ROHM AND HAAS COMPANY (US) 2004-04-21 EP disclosed
WO-2002068367-A1 A METHOD TO INHIBIT ETHYLENE RESPONSES IN PLANTS ROHM AND HAAS COMPANY (US) 2002-09-06 WO disclosed