SCHEMBL9806328

SCHEMBL9806328

C=C(c1ccccc1CCCC)c1ccccc1CCCC

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.48
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX5 P09917 1/20 0.43
PTGS2 P35354 1/20 0.43
TYR P14679 1/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
TSHR P16473 4/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
TLR8 Q9NR97 1/20 0.39
PPARA Q07869 1/20 0.38

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
SCHEMBL10597807 0.91 SLC16A3 (0.43) LIPGCYP3A4CYP2D6CYP2C9ALOX5
SCHEMBL6547324 0.89 LIPG (0.43) LIPGCYP3A4CYP2D6CYP2C9PTGS2
SCHEMBL721716 0.88 LIPG (0.46) LIPGCYP3A4CYP2D6CYP2C9ALOX5
SCHEMBL31093056 0.88 LIPG (0.46) LIPGCYP3A4CYP2D6CYP2C9ALOX5
SCHEMBL10957114 0.87 ALDH1A1 (0.42) LIPGTSHRHTTALDH1A1LMNA
SCHEMBL18929919 0.86 LIPG (0.44) LIPGCYP3A4CYP2D6CYP2C9ALOX5
SCHEMBL11209008 0.86 LIPG (0.44) LIPGCYP3A4CYP2D6CYP2C9ALOX5
SCHEMBL28173435 0.86 LIPG (0.44) LIPGCYP3A4CYP2D6CYP2C9ALOX5
SCHEMBL2494562 0.85 LIPG (0.50) LIPGCYP3A4CYP2D6CYP2C9ALOX5
SCHEMBL10602798 0.83 LIPG (0.50) LIPGALOX5PTGS2THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4994539-A Ethylene-unsaturated aromatic copolymer NIPPON PETROCHEMICALS CO., LTD. (JP) 1991-02-19 US disclosed
EP-0180771-B1 METHOD FOR IMPROVING IMPULSE BREAKDOWN STRENGTH OF ELECTRICALLY INSULATING MATERIALS Nippon Petrochemicals Co., Ltd. (JP) 1989-08-02 EP disclosed
EP-0180771-A1 Method for improving impulse breakdown strength of electrically insulating materials Nippon Petrochemicals Co., Ltd. (JP) 1986-05-14 EP disclosed
US-4559389-A HIGH RESOLUTION AND DRY ETCHING RESISTANCE ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1985-12-17 US disclosed
US-4523000-A HIGH RESOLUTION, AND DRY ETCH RESISTANCE, SOLVENT SOLUBLE ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1985-06-11 US disclosed