SCHEMBL6322998

SCHEMBL6322998

CCCCc1cccc(Oc2cccc(N)c2N)c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
PPARG P37231 3/20 0.43
PPARA Q07869 3/20 0.43
SKP2 Q13309 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL6333310 0.85 CYP1A2 (0.46) SKP2CYP1A2CYP2C9CYP2C19
SCHEMBL6331625 0.79 ALDH1A1 (0.45) ALDH1A1GAATAAR1
SCHEMBL6323002 0.78 TAAR1 (0.46) ALDH1A1GAATAAR1
SCHEMBL28408370 0.78 PPARG (0.44) PPARGPPARA
SCHEMBL6141193 0.78 ALDH1A1 (0.56) ALDH1A1GAACYP1A2CYP2C9CYP2C19
SCHEMBL688625 0.77 PPARA (0.49) ALDH1A1GAAPPARGPPARA
SCHEMBL6795855 0.77 LTA4H (0.55) ALDH1A1PPARGPPARA
SCHEMBL28333197 0.77 ALDH1A1 (0.61) ALDH1A1GAAPPARGPPARATAAR1
SCHEMBL6330909 0.77 ALDH1A1 (0.43) ALDH1A1GAA
SCHEMBL8685747 0.76 ALDH1A1 (0.43) ALDH1A1GAACYP1A2CYP2C9CYP2C19

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-20050272608-A1 Polyimide metal laminate and its production method MITSUI CHEMICALS, INC. (JP) 2005-12-08 US disclosed