SCHEMBL10080116

SCHEMBL10080116

CCC(C)(BCc1ccccc1C)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 2/20 0.35
▸ KMT2A Q03164 1/20 0.33
▸ KIF11 P52732 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CTBP2 P56545 1/20 0.32
▸ KCNN4 O15554 2/20 0.32
▸ LMNA P02545 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ SHBG P04278 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ MAPK1 P28482 1/20 0.31

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
SCHEMBL14641668 0.81 TAAR1 (0.38) TAAR1KMT2AALDH1A1HPGDCTBP2
SCHEMBL10080117 0.79 TP53 (0.38) TAAR1KCNN4LMNAMAPK1
SCHEMBL13193958 0.70 TAAR1 (0.35) TAAR1KIF11ALDH1A1KCNN4ESR1
SCHEMBL9284149 0.65 TAAR1 (0.48) TAAR1KMT2AALDH1A1HPGDCTBP2
SCHEMBL275403 0.65 TAAR1 (0.43) TAAR1KMT2AALDH1A1HPGDCTBP2
SCHEMBL6546943 0.65 TAAR1 (0.48) TAAR1ALDH1A1HPGDCTBP2LMNA
SCHEMBL2008111 0.65 TAAR1 (0.39) TAAR1KMT2AALDH1A1HPGDCTBP2
SCHEMBL3217545 0.65 TAAR1 (0.39) TAAR1KMT2AALDH1A1HPGDCTBP2
Hydrogen Peroxide SCHEMBL11532413 0.63 ALDH1A1 (0.52) TAAR1KMT2AALDH1A1HPGDCTBP2
O-Xylene SCHEMBL7933555 0.63 TSHR (0.53) TAAR1KMT2AALDH1A1HPGDCTBP2

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-20120082836-A1 RESIN COMPOSITION FOR LASER ENGRAVING, RESIN PRINTING PLATE PRECURSOR FOR LASER ENGRAVING, RELIEF PRINTING PLATE AND METHOD FOR PRODUCTION OF RELIEF PRINTING PLATE FUJIFILM CORPORATION (JP) 2012-04-05 — — US disclosed
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