SCHEMBL11208930

SCHEMBL11208930

CCCOC1CCc2cc(C(=O)Oc3ccc(C#N)cc3)ccc2C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
PRSS1 P07477 1/20 0.38
ACR P10323 1/20 0.38
S1PR1 P21453 3/20 0.38
MGLL Q99685 2/20 0.38
SGPL1 O95470 2/20 0.38
SRD5A1 P18405 1/20 0.38
SRD5A2 P31213 1/20 0.38
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ADRB3 P13945 1/20 0.35

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
SCHEMBL11208842 0.93 S1PR1 (0.43) MAPTS1PR1MGLLSGPL1LMNA
SCHEMBL11210804 0.92 S1PR1 (0.44) S1PR1MGLLSGPL1LMNA
SCHEMBL11214851 0.84 MCHR1 (0.48) MCHR1MAPTALDH1A1PPARDPPARA
SCHEMBL11209164 0.83 MCHR1 (0.49) MCHR1MAPTALDH1A1PPARDPPARA
SCHEMBL11209604 0.82 MCHR1 (0.46) MCHR1PPARDPPARAPRSS1ACR
SCHEMBL11213220 0.82 CYP11B1 (0.43) MCHR1MAPTALDH1A1PPARDPPARA
SCHEMBL11075730 0.81 MCHR1 (0.46) MCHR1PPARDPPARAS1PR1MGLL
SCHEMBL11207311 0.81 S1PR1 (0.45) MCHR1MAPTS1PR1SGPL1LMNA
SCHEMBL11209612 0.80 CYP3A4 (0.46) MCHR1S1PR1MGLLSGPL1LMNA
SCHEMBL11211358 0.80 CYP3A4 (0.46) MCHR1S1PR1MGLLSGPL1LMNA

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-4391731-A Hydrogenated naphthalenes HOFFMANN-LA ROCHE INC. (US) 1983-07-05 US disclosed