SCHEMBL8764966

SCHEMBL8764966

Cc1cc(C)cc(N(c2cc(C)cc(C)c2)c2cc(C)cc(N(c3cc(C)cc(C)c3)c3cc(C)cc(C)c3)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
TSHR P16473 4/20 0.42
ACHE P22303 2/20 0.38
TPMT P51580 1/20 0.33
TSPO P30536 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
C1S P09871 1/20 0.32
PRSS3 P35030 1/20 0.32
SELL P14151 1/20 0.32
SELP P16109 1/20 0.32
SELE P16581 1/20 0.32
RAPGEF4 Q8WZA2 2/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL7046205 0.97 ALDH1A1 (0.44) ALDH1A1TSHRACHETPMTTSPO
SCHEMBL16153694 0.88 ALDH1A1 (0.40) ALDH1A1TSHRACHETPMTTSPO
SCHEMBL8764993 0.87 ACHE (0.46) ALDH1A1TSHRACHETSPOCYP3A4
SCHEMBL8766259 0.83 ALDH1A1 (0.48) ALDH1A1TSHRACHERAPGEF4CYP3A4
SCHEMBL883713 0.83 ALDH1A1 (0.48) ALDH1A1TSHRACHETSPORAPGEF4
SCHEMBL1108690 0.83 ALDH1A1 (0.48) ALDH1A1TSHRACHETSPORAPGEF4
SCHEMBL8766574 0.81 ALDH1A1 (0.46) ALDH1A1TSHRACHETSPOCYP3A4
SCHEMBL5604869 0.81 ALDH1A1 (0.52) ALDH1A1TSHRACHETSPOCYP3A4
SCHEMBL12938584 0.81 RXRA (0.39) ALDH1A1TSHRACHETSPOCYP3A4
SCHEMBL15306317 0.81 ALDH1A1 (0.52) ALDH1A1TSHRACHETSPOCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0420207-B1 Electrophotosensitive material and method of manufacturing the same MITA INDUSTRIAL CO LTD (JP) 1997-08-13 EP disclosed
US-5185228-A Binder resin, charge transfer material; stability MITA INDUSTRIAL CO., LTD. (JP) 1993-02-09 US disclosed
US-5128229-A Polycarbonate, m-phenylenediamine derivative MITA INDUSTRIAL CO., LTD. (JP) 1992-07-07 US disclosed