SCHEMBL16081528

SCHEMBL16081528

PCCOCCN(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CALM1 P0DP23 1/20 0.42
▸ CAMKK2 Q96RR4 1/20 0.42
▸ TSHR P16473 4/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ ABCB1 P08183 1/20 0.38
▸ HDAC3 O15379 2/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC2 Q92769 2/20 0.38
▸ HDAC8 Q9BY41 2/20 0.38
▸ NCOR2 Q9Y618 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TRPM8 Q7Z2W7 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ BCHE P06276 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ MEN1 O00255 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
SCHEMBL16081646 0.98 CALM1 (0.41) CALM1CAMKK2TSHRMAPK1ABCB1
SCHEMBL12918861 0.88 TSHR (0.45) CALM1CAMKK2TSHRABCB1HDAC3
SCHEMBL2245187 0.81 USP2 (0.54) CALM1CAMKK2TSHRMAPK1HTT
SCHEMBL5555300 0.81 HTT (0.49) TSHRMAPK1HDAC3HDAC1HDAC2
SCHEMBL15357270 0.80 CALM1 (0.44) CALM1CAMKK2TSHRMAPK1ABCB1
SCHEMBL10126562 0.80 HTT (0.47) TSHRABCB1HDAC3HDAC1HDAC2
SCHEMBL10138451 0.80 TSHR (0.47) CALM1CAMKK2TSHRMAPK1HTT
SCHEMBL22498765 0.80 CARM1 (0.46) CALM1CAMKK2TSHRABCB1HTT
SCHEMBL18073542 0.80 CALM1 (0.44) CALM1CAMKK2TSHRMAPK1ABCB1
SCHEMBL7692544 0.80 HTT (0.47) TSHRABCB1HDAC3HDAC1HDAC2

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
WO-2014144017-A2 COMPOSITIONS AND METHODS FOR TREATING CONDITIONS THAT AFFECT EPIDERMIS GENCIA CORPORATION (US) 2014-09-18 — — WO disclosed
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