SCHEMBL8964877

SCHEMBL8964877

CCn1c2ccccc2c2cc(OC)c(-c3nc4ccc(C)cc4o3)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
HSD17B10 Q99714 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
USP2 O75604 1/20 0.43
GLA P06280 1/20 0.43
TSHR P16473 1/20 0.43
ALOX12 P18054 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PDE10A Q9Y233 1/20 0.43
TP53 P04637 5/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
KDM4E B2RXH2 4/20 0.41
HPGD P15428 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL8964550 0.87 RPS6KA3 (0.46) ALDH1A1HSD17B10MEN1KMT2ATDP1
SCHEMBL8964781 0.76 NPC1 (0.52) ALDH1A1HSD17B10MEN1KMT2ATDP1
SCHEMBL16418413 0.75 HSD17B10 (0.55) ALDH1A1HSD17B10MEN1KMT2AGLA
SCHEMBL16156478 0.73 RPS6KA3 (0.48) ALDH1A1HSD17B10MEN1KMT2ATDP1
SCHEMBL12304267 0.72 HSD17B10 (0.66) ALDH1A1HSD17B10MEN1KMT2AUSP2
SCHEMBL8964782 0.71 NPC1 (0.41) ALDH1A1HSD17B10MEN1KMT2ATDP1
SCHEMBL8964575 0.70 TP53 (0.52) ALDH1A1HSD17B10MEN1KMT2AUSP2
SCHEMBL16156482 0.70 HSD17B10 (0.47) ALDH1A1HSD17B10MEN1KMT2AGLA
SCHEMBL16156466 0.69 HSD17B10 (0.48) ALDH1A1HSD17B10MEN1KMT2ATSHR
SCHEMBL27817965 0.69 NPY5R (0.52) ALDH1A1HSD17B10MEN1KMT2AUSP2

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-5587112-A DETECTION AND MEASUREMENT OF HIGH ENERGY PARTICLES AND ELECTROMAGNETC RADIATION PHILADELPHIA COLLEGE OF PHARMACY AND SCIENCE (US) 1996-12-24 US disclosed