SCHEMBL28189999

SCHEMBL28189999

CC=CCC=CCCCC=CCC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
CYP19A1 P11511 4/20 0.57
PPARG P37231 4/20 0.57
F7 P08709 3/20 0.57
F3 P13726 3/20 0.57
OXER1 Q8TDS5 3/20 0.57
PTGS1 P23219 3/20 0.57
KMT2A Q03164 2/20 0.57
PPARD Q03181 2/20 0.57
PPARA Q07869 2/20 0.57
ADORA3 P0DMS8 2/20 0.57
RXRA P19793 2/20 0.57
MAPT P10636 3/20 0.53
FFAR1 O14842 3/20 0.53
NR1I2 O75469 2/20 0.53
PTGS2 P35354 2/20 0.53
CYP3A4 P08684 2/20 0.53
ALOX15 P16050 2/20 0.53
HSD17B10 Q99714 2/20 0.53
TDP1 Q9NUW8 2/20 0.53

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
SCHEMBL27599078 0.95 ALDH1A1 (0.59) ALDH1A1CYP19A1PPARGF7F3
SCHEMBL21044807 0.93 ALDH1A1 (0.62) ALDH1A1CYP19A1PPARGF7F3
SCHEMBL5083398 0.89 ALDH1A1 (0.60) ALDH1A1CYP19A1PPARGF7F3
SCHEMBL1827286 0.87 ALDH1A1 (0.46) ALDH1A1CYP19A1PPARGF7F3
SCHEMBL3839180 0.87 TRPV1 (0.44) ALDH1A1CYP19A1PPARGF7F3
SCHEMBL1827285 0.87 ALDH1A1 (0.46) ALDH1A1CYP19A1PPARGF7F3
SCHEMBL23143217 0.87 ALDH1A1 (0.48) ALDH1A1CYP19A1PPARGF7F3
SCHEMBL20834321 0.87 ALDH1A1 (0.48) ALDH1A1CYP19A1PPARGF7F3
SCHEMBL1325015 0.87
SCHEMBL20530376 0.87 ALDH1A1 (0.48) ALDH1A1CYP19A1PPARGF7F3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107438645-B Metal pipe with corrosion-resistant polyolefin coating J范伯亨比希尔公司 2020-06-16 CN disclosed
CN-107438645-A Metallic conduit with anticorrosion polyolefin cover J范伯亨比希尔公司 2017-12-05 CN disclosed