SCHEMBL14641977

SCHEMBL14641977

Cc1cc(C)cc(-c2cc3ccccc3c3ccccc23)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.52
▸ CYP2A6 P11509 3/20 0.52
▸ CYP11B1 P15538 1/20 0.50
▸ BRD9 Q9H8M2 1/20 0.47
▸ BRD7 Q9NPI1 1/20 0.47
▸ ALDH1A1 P00352 6/20 0.44
▸ HSD17B10 Q99714 4/20 0.44
▸ HPGD P15428 3/20 0.44
▸ HIF1A Q16665 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ TRPM4 Q8TD43 1/20 0.43
▸ CYP1B1 Q16678 2/20 0.43
▸ CYP1A1 P04798 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MPI P34949 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
SCHEMBL12520821 0.84 CYP11B1 (0.59) CYP1A2CYP2A6CYP11B1ALDH1A1HSD17B10
SCHEMBL16407360 0.83 CYP11B1 (0.47) CYP1A2CYP2A6CYP11B1ALDH1A1HPGD
SCHEMBL24174147 0.82 GPR84 (0.53) CYP1A2CYP2A6CYP11B1ALDH1A1HSD17B10
SCHEMBL14297104 0.81 CYP11B1 (0.39) CYP1A2CYP2A6CYP11B1BRD9BRD7
SCHEMBL4546821 0.81 KDM4E (0.41) CYP1A2CYP2A6CYP11B1BRD9BRD7
SCHEMBL18575590 0.80 GPR84 (0.44) CYP1A2CYP2A6CYP11B1BRD9BRD7
SCHEMBL19998856 0.79 CYP11B1 (0.41) CYP1A2CYP2A6CYP11B1ALDH1A1HPGD
SCHEMBL19998838 0.79 CYP11B1 (0.41) CYP1A2CYP2A6CYP11B1ALDH1A1HPGD
SCHEMBL20081061 0.79 CYP11B1 (0.72) CYP1A2CYP2A6CYP11B1ALDH1A1HPGD
SCHEMBL19998860 0.79 CYP11B1 (0.41) CYP1A2CYP2A6CYP11B1ALDH1A1HPGD

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-8354515-B2 Oligonucleotide derivative, labeling agent and use for labeling agent JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2013-01-15 — — US disclosed
Send feedback