SCHEMBL7963624

SCHEMBL7963624

CC(C)c1c(O)ccc2c(-c3ccccc3)cccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
BCL2L1 Q07817 1/20 0.44
HSD17B10 Q99714 1/20 0.44
BACE1 P56817 1/20 0.41
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
PPARG P37231 4/20 0.39
PPARA Q07869 4/20 0.39
MCL1 Q07820 1/20 0.39
ACMSD Q8TDX5 1/20 0.39
AHR P35869 1/20 0.38
CA12 O43570 1/20 0.37
TNF P01375 1/20 0.37
CA9 Q16790 1/20 0.37
NOD2 Q9HC29 1/20 0.37

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
SCHEMBL5069431 0.82 ALDH1A1 (0.56) ALDH1A1HPGDBCL2L1HSD17B10BACE1
SCHEMBL4192822 0.80 IDO1 (0.48) ALDH1A1HPGDHSD17B10HSD17B1HSD17B2
SCHEMBL28856459 0.80 ALDH1A1 (0.58) ALDH1A1HPGDBCL2L1HSD17B10BACE1
SCHEMBL27601367 0.77 BACE1 (0.45) ALDH1A1HPGDBCL2L1HSD17B10BACE1
SCHEMBL8758997 0.75 BACE1 (0.43) ALDH1A1HPGDBCL2L1HSD17B10BACE1
SCHEMBL28423706 0.75 CDC25A (0.44) ALDH1A1HPGDBCL2L1HSD17B10BACE1
SCHEMBL28404461 0.74 HPGD (0.50) ALDH1A1HPGDBCL2L1HSD17B10BACE1
SCHEMBL10356132 0.74 HPGD (0.43) ALDH1A1HPGDBCL2L1HSD17B10BACE1
SCHEMBL7229208 0.73 ESR2 (0.56) ALDH1A1HPGDHSD17B10HSD17B1HSD17B2
SCHEMBL11064751 0.73 HPGD (0.65) ALDH1A1HPGDBCL2L1HSD17B10BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001010858-A1 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2001-02-15 WO disclosed