SCHEMBL8630134

SCHEMBL8630134

C1=CC(c2cccc3cc4ccccc4cc23)Oc2ccc3ccccc3c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 4/20 0.36
HSD17B10 Q99714 3/20 0.36
HIF1A Q16665 1/20 0.36
CYP1B1 Q16678 1/20 0.36
DPP4 P27487 2/20 0.33
HPGD P15428 3/20 0.33
CYP1A2 P05177 3/20 0.33
KDM4E B2RXH2 4/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
GLA P06280 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
SLC6A4 P31645 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL8782882 0.81 DPP4 (0.40) CA12CA9ALDH1A1HSD17B10CYP1B1
SCHEMBL28888143 0.71 CA12 (0.46) CA12CA9ALDH1A1HSD17B10HIF1A
SCHEMBL643216 0.71 KDM1A (0.38) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL28424988 0.67 CA12 (0.45) CA12CA9ALDH1A1HSD17B10HPGD
SCHEMBL7731885 0.66 PRKDC (0.34) CA12CA9ALDH1A1HSD17B10CYP1B1
SCHEMBL8680691 0.66 ALDH1A1 (0.48) CA12CA9ALDH1A1HSD17B10HIF1A
SCHEMBL9245394 0.65 ALDH1A1 (0.41) CA12CA9ALDH1A1HSD17B10HIF1A
SCHEMBL28558522 0.62 ALDH1A1 (0.39) ALDH1A1HSD17B10HIF1ACYP1B1HPGD
SCHEMBL27567037 0.62 ALDH1A1 (0.38) CA12CA9ALDH1A1HSD17B10HIF1A
SCHEMBL22167530 0.62 CYP1A2 (0.36) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2

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
US-5707557-A Photochromic 3H-naphthopyrans OPTISCHE WERKE G. RODENSTOCK (DE) 1998-01-13 US disclosed