SCHEMBL9446594

SCHEMBL9446594

c1ccc2c(c1)ccc1cc(OP(Oc3ccc4c(ccc5ccccc54)c3)Oc3ccc4c(ccc5ccccc54)c3)ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
HSD17B10 Q99714 3/20 0.52
CYP1B1 Q16678 2/20 0.52
HIF1A Q16665 1/20 0.52
HPRT1 P00492 3/20 0.50
CYP2A6 P11509 2/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CYP1A2 P05177 4/20 0.42
ERBB2 P04626 1/20 0.42
FYN P06241 1/20 0.42
MAOA P21397 1/20 0.42
ACHE P22303 1/20 0.42
AHR P35869 1/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 2/20 0.42
CYP1A1 P04798 1/20 0.42
GAA P10253 1/20 0.39
RCE1 Q9Y256 1/20 0.39
AGXT P21549 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
SCHEMBL3960261 0.85 CYP2A6 (0.56) ALDH1A1HSD17B10CYP2A6TDP1CYP1A2
SCHEMBL9446598 0.85 ALDH1A1 (0.48) ALDH1A1HSD17B10CYP1B1HIF1AHPRT1
SCHEMBL9040087 0.78 CYP1A2 (0.72) ALDH1A1HSD17B10CYP1B1HIF1AHPRT1
SCHEMBL2779866 0.78 ALDH1A1 (0.54) ALDH1A1HSD17B10CYP1B1HIF1AHPRT1
SCHEMBL29817774 0.77 ALDH1A1 (0.48) ALDH1A1HSD17B10CYP1B1HIF1AHPRT1
SCHEMBL29069620 0.77 ALDH1A1 (0.48) ALDH1A1HSD17B10CYP1B1HIF1AHPRT1
SCHEMBL12473666 0.76 CYP1A2 (0.69) ALDH1A1HSD17B10CYP1B1HIF1AHPRT1
SCHEMBL12277720 0.76 CYP1A2 (0.69) ALDH1A1HSD17B10CYP1B1HIF1AHPRT1
SCHEMBL20227969 0.73 KIF11 (0.56) ALDH1A1HSD17B10CYP1B1HIF1AHPRT1
SCHEMBL21381123 0.73 KCNA3 (0.46) ALDH1A1HSD17B10TDP1CYP1A2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5250603-A Polyarylene sulfides and bilobal inorganic fiber; improved flexural, tensile and impact strengths; dielectrics PHILLIPS PETROLEUM COMPANY (US) 1993-10-05 US disclosed
US-5179145-A Containing an epoxysilane and organic phosphite; molding materials; improved mechanical properties PHILLIPS PETROLEUM COMPANY (US) 1993-01-12 US disclosed
US-4992497-A Glass filled poly(arylene sulfide) compositions and methods PHILLIPS PETROLEUM COMPANY (US) 1991-02-12 US disclosed
EP-0392472-A2 Glass-filled poly (arylene sulfide) compositions and methods PHILLIPS PETROLEUM COMPANY (US) 1990-10-17 EP disclosed