SCHEMBL9201705

SCHEMBL9201705

COC(OC)C1(C)C=Cc2cc(OC(F)(F)F)ccc2O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
PTGS1 P23219 2/20 0.35
PTGS2 P35354 2/20 0.35
ABL1 P00519 6/20 0.33
BACE1 P56817 3/20 0.33
CTSD P07339 1/20 0.33
MEN1 O00255 1/20 0.33
PLIN1 O60240 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.33
PLIN5 Q00G26 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ABHD5 Q8WTS1 1/20 0.33

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
SCHEMBL8802196 0.81 HIF1A (0.43) CA12CA9PTGS1PTGS2MAPT
SCHEMBL6986044 0.79 CA2 (0.40) CA12CA9PTGS1PTGS2MEN1
SCHEMBL6982323 0.79 CA2 (0.40) CA12CA9PTGS1PTGS2MEN1
SCHEMBL21257372 0.78 PTGS1 (0.37) CA12CA9PTGS1PTGS2MEN1
SCHEMBL6981088 0.77 NPSR1 (0.43) CA12CA9PTGS1PTGS2XDH
SCHEMBL9206139 0.74 CA12 (0.40) CA12CA9PTGS1PTGS2XDH
SCHEMBL6980030 0.73 HTR2C (0.41) PTGS1PTGS2MEN1MAPTTSHR
SCHEMBL12748472 0.73 HTR2C (0.41) PTGS1PTGS2MEN1MAPTTSHR
SCHEMBL6980368 0.73 HTR2C (0.41) PTGS1PTGS2MEN1MAPTTSHR
SCHEMBL9205782 0.73 CA9 (0.44) CA12CA9PTGS1PTGS2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0514935-B1 Novel benzopyran derivatives and processes for the preparation thereof KOREA RES INST CHEM TECH (KR) 1995-11-08 EP disclosed
US-5236935-A Hypotensive agents KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-08-17 US disclosed
EP-0514935-A1 Novel benzopyran derivatives and processes for the preparation thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1992-11-25 EP disclosed