SCHEMBL1844892

SCHEMBL1844892

COc1ccc(C2(c3ccc(C(F)(F)F)cc3)C=Cc3c(C)c(C)c4ccccc4c3O2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.39
VDR P11473 1/20 0.37
ACP1 P24666 3/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KIF11 P52732 2/20 0.32
NR1H4 Q96RI1 1/20 0.31
GSK3B P49841 1/20 0.31
CYP1A1 P04798 1/20 0.31
CYP1B1 Q16678 1/20 0.31
MAOB P27338 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
SCHEMBL1845200 0.91 MEN1 (0.35) MEN1KMT2AHPGDSMN1; SMN2RAB9A
SCHEMBL12205494 0.87 ACHE (0.38) MEN1KMT2ATP53HPGDSMN1; SMN2
SCHEMBL17929227 0.85 KMT2A (0.32) ACP1MEN1KMT2ATP53L3MBTL1
SCHEMBL14293568 0.82 EDNRA (0.36) MEN1KMT2ATP53RAB9AKDM4E
SCHEMBL22145126 0.80 PPARG (0.38) AHRTP53L3MBTL1HPGDSMN1; SMN2
SCHEMBL5615504 0.79 AHR (0.38) AHRVDRACP1MEN1KMT2A
SCHEMBL1984131 0.79 EDNRA (0.33) MEN1KMT2ATP53HPGDSMN1; SMN2
SCHEMBL25601064 0.78 CYP2C19 (0.33) AHRACP1MEN1KMT2ATP53
SCHEMBL6994031 0.78 HSD17B10 (0.35) RAB9ANPC1
SCHEMBL25601673 0.78 KIF11 (0.33) KIF11NR1H4

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-0971914-B1 NEUTRAL COLOURING PHOTOCHROMIC 2H-NAPHTHO 1,2-b PYRANS AND HETEROCYCLIC PYRANS VIVIMED LABS EUROP LTD (GB) 2011-05-18 EP disclosed
EP-0975619-B1 INTENSE COLOURING PHOTOCHROMIC 2H-NAPHTHO[1,2-b] PYRANS AND HETEROCYCLIC PYRANS JAMES ROBINSON LTD (GB) 2007-01-03 EP disclosed
US-6248264-B1 WINDOWS OR EYEGLASS/SUNGLASS LENSES HAVING GOOD DARKENING AND LIGHTENING PERFORMANCE WITH HIGH OPTICAL DENSITY JAMES ROBINSON LIMITED (GB) 2001-06-19 US disclosed