SCHEMBL28655422

SCHEMBL28655422

c1cc2c(cc1-c1ccc3c(c1)CCC3)CCC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.55
CYP11B2 P19099 1/20 0.55
ALDH1A1 P00352 4/20 0.48
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA14 Q9ULX7 1/20 0.46
HSD17B1 P14061 1/20 0.44
TSHR P16473 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
SCHEMBL29541304 1.00 CYP11B1 (0.55) CYP11B1CYP11B2ALDH1A1NPC1RAB9A
SCHEMBL28663639 0.94 CYP11B1 (0.61) CYP11B1CYP11B2ALDH1A1NPC1RAB9A
SCHEMBL27445644 0.88 CYP11B1 (0.56) CYP11B1CYP11B2ALDH1A1NPC1RAB9A
SCHEMBL30125264 0.88 CYP11B1 (0.56) CYP11B1CYP11B2ALDH1A1NPC1RAB9A
SCHEMBL1513558 0.86 HSD17B1 (0.62) CYP11B1CYP11B2ALDH1A1MEN1KMT2A
SCHEMBL29308758 0.86 CYP11B1 (0.46) CYP11B1CYP11B2ALDH1A1NPC1RAB9A
SCHEMBL8072410 0.84 CYP11B1 (0.44) CYP11B1CYP11B2ALDH1A1NPC1RAB9A
SCHEMBL5276645 0.84 ASIC3 (0.61) CYP11B1CYP11B2ALDH1A1NPC1RAB9A
SCHEMBL9845507 0.83 CYP11B1 (0.61) CYP11B1CYP11B2ALDH1A1NPC1RAB9A
SCHEMBL5905931 0.81 CYP11B1 (0.50) CYP11B1CYP11B2ALDH1A1NPC1RAB9A

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
CN-113651784-A Synthetic method of 3,3',4,4' -biphenyl tetracarboxylic dianhydride 大连新阳光材料科技有限公司 2021-11-16 CN disclosed