SCHEMBL27980656

SCHEMBL27980656

CCCCCCC(C)(Oc1ccccc1)c1ccccc1O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 11/20 0.43
CNR2 P34972 11/20 0.43
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
LTA4H P09960 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36

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
SCHEMBL1833657 0.87 CNR1 (0.41) CNR1CNR2ALDH1A1TSHRTDP1
SCHEMBL1836327 0.87 CNR1 (0.41) CNR1CNR2ALDH1A1TSHRTDP1
SCHEMBL1836134 0.85 CNR1 (0.39) CNR1CNR2ALDH1A1TSHRTDP1
SCHEMBL982865 0.84 CNR1 (0.41) CNR1CNR2ALDH1A1TSHRTDP1
SCHEMBL983942 0.84 CNR1 (0.41) CNR1CNR2ALDH1A1TSHRTDP1
SCHEMBL983926 0.84 CNR1 (0.41) CNR1CNR2ALDH1A1TSHRTDP1
SCHEMBL982984 0.84 CNR1 (0.41) CNR1CNR2ALDH1A1TSHRTDP1
SCHEMBL983394 0.84 CNR1 (0.41) CNR1CNR2ALDH1A1TSHRTDP1
SCHEMBL980278 0.82 CNR1 (0.39) CNR1CNR2ALDH1A1TSHRTDP1
SCHEMBL1837418 0.81 ALDH1A1 (0.39) CNR1CNR2ALDH1A1TSHRTDP1

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-102471244-B Process for producing N-substituted carbamate, process for producing isocyanate using the N-substituted carbamate, and composition for transporting and storing N-substituted carbamate containing N-substituted carbamate and aromatic hydroxy compound ASAHI CHEMICAL CORP 2014-09-24 CN disclosed