SCHEMBL8975216

SCHEMBL8975216

CCOc1ccc2ncoc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
CYP1A2 P05177 3/20 0.47
APP P05067 1/20 0.47
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA4 P22748 2/20 0.46
CA6 P23280 2/20 0.46
CA5A P35218 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA5B Q9Y2D0 2/20 0.46
LMNA P02545 4/20 0.46
NQO1 P15559 1/20 0.45
ALDH1A1 P00352 5/20 0.44
TSHR P16473 3/20 0.44
HSD17B10 Q99714 3/20 0.44
TP53 P04637 2/20 0.44
CYP3A4 P08684 1/20 0.44
PPARD Q03181 1/20 0.43

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
SCHEMBL6032549 0.86 ALDH1A1 (0.45) KMT2ACYP1A2APPCA12CA1
SCHEMBL9119257 0.83 PPARD (0.47) CYP1A2CA12CA1CA4CA6
SCHEMBL926856 0.81 KDM4E (0.48) KMT2ACYP1A2APPCA12CA1
SCHEMBL9440539 0.80 CYP11B1 (0.43) KMT2ACYP1A2CA12CA1CA4
SCHEMBL17848625 0.79 APP (0.49) APPLMNAPPARDTAS1R3TAS1R1
SCHEMBL9113429 0.77 PPARD (0.47) PPARDDYRK1A
SCHEMBL27747889 0.77 NPC1 (0.55) KMT2ACYP1A2CA12CA1CA4
SCHEMBL27563412 0.75 KDM4E (0.49) CA12CA9LMNAALDH1A1HSD17B10
SCHEMBL27394057 0.75 HPGD (0.47) KMT2ACA12CA5ALMNAALDH1A1
SCHEMBL11783794 0.74 KMT2A (0.44) KMT2ACYP1A2APPCA12CA1

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-5541052-A HAVING EMULSION LAYER CONTAINING NORMAL CRYSTAL SILVER HALIDE GRAINS WITH CONCAVE CRYSTAL FACE AND CORE/SHELL STRUCTURE WITH DIFFERENT COMPOSITION IN EACH KONICA CORPORATION (JP) 1996-07-30 US disclosed