Sugi Predict

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SCHEMBL9285148

SCHEMBL9285148

Cc1cc(C)cc(N(c2cc(C)cc(C)c2)c2ccc(-c3ccc(N(c4cc(C)cc(C)c4)c4cc(C)cc(C)c4)cc3C)c(C)c2)c1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.31
▸ ESR2 Q92731 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ S100B P04271 1/20 0.31
▸ LMNA P02545 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
SCHEMBL25700338 0.91 ACHE (0.43) ALDH1A1TSHRLMNA
SCHEMBL1702280 0.84 ALDH1A1 (0.42) ESR1ESR2ALDH1A1TSHRS100B
SCHEMBL13049496 0.84 MAPT (0.41) ALDH1A1TSHRLMNA
SCHEMBL12938559 0.83 ACHE (0.42) ALDH1A1TSHRLMNA
SCHEMBL11331009 0.83 ACHE (0.42) ALDH1A1TSHRLMNA
SCHEMBL30451157 0.83 ACHE (0.42) ALDH1A1TSHRLMNA
SCHEMBL13049519 0.82 MAPT (0.37) ALDH1A1TSHRLMNA
SCHEMBL16153694 0.81 ALDH1A1 (0.40) ALDH1A1TSHRS100B
SCHEMBL13049490 0.80 PDK2 (0.31) LMNA
SCHEMBL13049550 0.79 ALDH1A1 (0.39) ESR2ALDH1A1TSHRLMNA

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
EP-0314195-B1 Electrophotographic sensitive material MITA INDUSTRIAL CO LTD (JP) 1995-03-22 — — EP disclosed