Sugi Predict

Sugi Predict / Compounds / SCHEMBL7671075

SCHEMBL7671075

SCHEMBL7671075

C=Cc1ccc(C2CCC(C3CCC(CCC)CC3)CC2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ OPRL1 P41146 13/20 0.33
▸ TLR4 O00206 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
SCHEMBL7671081 1.00 CYP2C9 (0.35) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7671068 1.00 CYP2C9 (0.35) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL12994006 0.87 CYP2C9 (0.42) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL739274 0.85 CYP2C9 (0.35) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL740131 0.83 CYP2C9 (0.39) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL17527873 0.82 CYP2C9 (0.40) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL2905645 0.82 OPRL1 (0.39) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL20879298 0.82 ESR2 (0.31) —
SCHEMBL2905643 0.82 OPRL1 (0.39) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL14494545 0.82 OPRL1 (0.39) CYP2C9ALDH1A1LMNAMAPTMEN1

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-6388146-B1 AROMATIC UNSATURATED NOMONER SHARP KABUSHIKI KAISHA (JP) 2002-05-14 — — US disclosed