SCHEMBL7866197

SCHEMBL7866197

C[C](C)CCCCCCOCC(C)C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 2/20 0.41
▸ SPHK2 Q9NRA0 1/20 0.41
▸ USP2 O75604 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ LPAR5 Q9H1C0 4/20 0.36
▸ LPAR1 Q92633 7/20 0.35
▸ LPAR3 Q9UBY5 7/20 0.35
▸ PLA2G2C Q5R387 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ LPAR2 Q9HBW0 4/20 0.33
▸ LPAR6 P43657 3/20 0.33
▸ LPAR4 Q99677 3/20 0.33
▸ CES2 O00748 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32

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
SCHEMBL26724993 0.83 PAOX (0.43) SPHK1SPHK2USP2HTTPLA2G2C
SCHEMBL10119365 0.83 SPHK1 (0.44) SPHK1SPHK2USP2HTTLPAR5
SCHEMBL31086433 0.83 SPHK1 (0.44) SPHK1SPHK2USP2HTTLPAR5
SCHEMBL7863942 0.81 PTPN1 (0.35) SPHK1HTTPLA2G2CALDH1A1CES2
SCHEMBL26724992 0.81 PAOX (0.40) SPHK1SPHK2USP2PLA2G2CALDH1A1
SCHEMBL11858528 0.81 SPHK1 (0.42) SPHK1SPHK2USP2HTTLPAR5
SCHEMBL10599228 0.79 ALDH1A1 (0.55) PLA2G2CALDH1A1HSD17B10
SCHEMBL10596601 0.79 ALDH1A1 (0.55) PLA2G2CALDH1A1HSD17B10
SCHEMBL2090432 0.79 SPHK1 (0.42) SPHK1SPHK2USP2HTTPLA2G2C
SCHEMBL7863608 0.78 PTPN1 (0.36) HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623608-B1 BENZOPYRAN DERIVATIVE, PRODUCTION THEREOF, AND PHARMACEUTICAL PREPARATION CONTAINING THE SAME AS ACTIVE INGREDIENT TEIJIN LTD (JP) 2001-05-30 — — EP disclosed
EP-0632031-B1 CONDENSED BENZOXA RING COMPOUND, PRODUCTION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TEIJIN LTD (JP) 2000-05-03 — — EP disclosed
EP-0546177-B1 BENZOPYRAN DERIVATIVE, PRODUCTION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TEIJIN LTD (JP) 1998-01-07 — — EP disclosed
US-5574061-A ANTILIPEMIC AGENT, ANTIATHEROSCLEROSIS, ACAT INHIBITOR TEIJIN LIMITED (JP) 1996-11-12 — — US disclosed
US-5496853-A FOR TREATING HYPERCHOLESTEROLEMIA TEIJIN LIMITED (JP) 1996-03-05 — — US disclosed
EP-0632031-A1 CONDENSED BENZOXA RING COMPOUND, PRODUCTION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TEIJIN LIMITED (JP) 1995-01-04 — — EP disclosed
EP-0623608-A1 BENZOPYRAN DERIVATIVE, PRODUCTION THEREOF, AND PHARMACEUTICAL PREPARATION CONTAINING THE SAME AS ACTIVE INGREDIENT TEIJIN LIMITED (JP) 1994-11-09 — — EP disclosed
EP-0546177-A1 BENZOPYRAN DERIVATIVE, PRODUCTION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TEIJIN LIMITED (JP) 1993-06-16 — — EP disclosed
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