SCHEMBL14612435

SCHEMBL14612435

CC(C)(Cl)c1ccc(C(C)(C)CI)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
SHBG P04278 1/20 0.35
TAAR1 Q96RJ0 1/20 0.33
APP P05067 1/20 0.32
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL28273166 0.79 ESR1 (0.42) ESR1ESR2SHBGTAAR1APP
SCHEMBL45199 0.79 MEN1 (0.41) ESR1ESR2TSHRMEN1KMT2A
SCHEMBL7389 0.77 APP (0.44) ESR1ESR2APPTSHRMEN1
SCHEMBL6680416 0.75 TAAR1 (0.58) ESR1ESR2TAAR1TSHRMAPT
SCHEMBL8326684 0.73 TAAR1 (0.56) ESR1ESR2TAAR1TSHRMAPT
SCHEMBL10541114 0.72 SHBG (0.50) ESR1ESR2SHBGTAAR1TP53
SCHEMBL22317811 0.71 HDAC8 (0.42) TAAR1MAPTRAB9A
SCHEMBL16035570 0.71 TAAR1 (0.33) ESR1ESR2SHBGTAAR1
SCHEMBL9785061 0.71 KIF11 (0.44) ESR1ESR2TSHRNPC1RAB9A
SCHEMBL13704994 0.71 TSHR (0.55) TP53TSHRNPC1MAPTRAB9A

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-7176269-B2 Curable composition and its use MITSUI CHEMICALS, INC. (JP) 2007-02-13 US disclosed