SCHEMBL8802196

SCHEMBL8802196

CC1(C)C=Cc2cc(OC(F)(F)F)ccc2O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 11/20 0.43
EPAS1 Q99814 11/20 0.43
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
COXFA4 O00483 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
CA1 P00915 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
CA7 P43166 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTGS1 P23219 2/20 0.39
PTGS2 P35354 2/20 0.39

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
SCHEMBL9201705 0.81 CA12 (0.36) HIF1AEPAS1CA12CA9MAPT
SCHEMBL2009830 0.81 HIF1A (0.52) HIF1AEPAS1CA12CA9COXFA4
SCHEMBL4017638 0.78 HIF1A (0.42) HIF1AEPAS1CA12CA9COXFA4
SCHEMBL6937184 0.78 KCNE1 (0.45) HIF1AEPAS1COXFA4PTGS1PTGS2
SCHEMBL4492932 0.76 ALDH1A1 (0.51) HIF1AEPAS1CA12CA9COXFA4
SCHEMBL7636259 0.75 PTGS1 (0.45) CA12CA9ALDH1A1HPGDMAPT
SCHEMBL7301080 0.75 PTGS1 (0.39) CA12CA9PTGS1PTGS2CYP3A4
SCHEMBL6935054 0.75 HIF1A (0.43) HIF1AEPAS1CA12CA9COXFA4
SCHEMBL6024450 0.74 HTR2C (0.54) HIF1AEPAS1CA12CA9ALDH1A1
SCHEMBL8795292 0.73 ALDH1A1 (0.40) HIF1AEPAS1CA12CA9COXFA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0566567-B1 ANTIHYPERTENSIVE BENZOPYRAN DERIVATIVES AMERICAN HOME PROD (US) 1997-11-19 EP disclosed
EP-0350805-B1 Benzopyran derivatives, processes for their preparation and their use and preparations containing the compounds BEIERSDORF LILLY GMBH (DE) 1997-04-16 EP disclosed
EP-0566567-A1 ANTIHYPERTENSIVE BENZOPYRAN DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1993-10-27 EP disclosed
US-5252597-A Antihypertensive benzopyran derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1993-10-12 US disclosed
EP-0314446-B1 NOVEL ANTIHYPERTENSIVE BENZOPYRAN DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1993-09-15 EP disclosed
US-5171857-A Antihypertensive benzopyran derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1992-12-15 US disclosed
WO-1992020672-A1 ISOINDOLYL AND ISOCHINOLYL-SUBSTITUTED BENZOPYRANE DERIVATIVES, INTERMEDIATE PRODUCTS, AND PROCESS FOR PRODUCING THEM BEIERSDORF-LILLY GMBH (DE) 1992-11-26 WO disclosed
WO-1992012153-A1 NOVEL ANTIHYPERTENSIVE BENZOPYRAN DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1992-07-23 WO disclosed
US-5096914-A Hypotensive agents BEIERSDORF AKTIENGESELLSCHAFT (DE) 1992-03-17 US disclosed
US-5047552-A Process for preparing benzopyran derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1991-09-10 US disclosed
US-5028711-A Hypotensive Agents BEIERSDORF AKTIENGESELLSCHAFT (DE) 1991-07-02 US disclosed
US-5021418-A Antihypertensive benzopyran compounds AMERICAN HOME PRODUCTS CORPORATION (US) 1991-06-04 US disclosed
US-4983612-A Antihypertensive benzopyran derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1991-01-08 US disclosed
US-4925839-A Novel antihypertensive benzopyran derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1990-05-15 US disclosed
EP-0350805-A1 Benzopyran derivatives, processes for their preparation and their use and preparations containing the compounds Beiersdorf-Lilly GmbH (DE) 1990-01-17 EP disclosed
EP-0314446-A2 Novel antihypertensive benzopyran derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1989-05-03 EP disclosed