SCHEMBL27980903

SCHEMBL27980903

CCCCCCCC(C)(CC)Cc1ccccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.42
CNR2 P34972 8/20 0.42
GPR18 Q14330 2/20 0.42
GPR55 Q9Y2T6 2/20 0.42
TSHR P16473 1/20 0.42
BID P55957 3/20 0.40
MCL1 Q07820 3/20 0.40
BCL2L1 Q07817 2/20 0.40
BAK1 Q16611 2/20 0.40
KAT8 Q9H7Z6 2/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
EP300 Q09472 1/20 0.40
KAT2A Q92830 1/20 0.40
KAT2B Q92831 1/20 0.40
KAT5 Q92993 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
LIPG Q9Y5X9 1/20 0.39
HTR1A P08908 1/20 0.38
NR1H2 P55055 1/20 0.38

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
SCHEMBL27980733 0.98 TSHR (0.43) CNR1CNR2GPR18GPR55TSHR
SCHEMBL27980688 0.85 TSHR (0.45) CNR1CNR2GPR18GPR55TSHR
SCHEMBL27833245 0.85 TSHR (0.45) CNR1CNR2GPR18GPR55TSHR
SCHEMBL27980965 0.85 TSHR (0.45) CNR1CNR2GPR18GPR55TSHR
SCHEMBL27833319 0.85 TSHR (0.45) CNR1CNR2GPR18GPR55TSHR
SCHEMBL27813168 0.85 TSHR (0.45) CNR1CNR2GPR18GPR55TSHR
SCHEMBL27813146 0.85 TSHR (0.45) CNR1CNR2GPR18GPR55TSHR
SCHEMBL27813222 0.85 TSHR (0.45) CNR1CNR2GPR18GPR55TSHR
SCHEMBL27813150 0.83 TSHR (0.46) CNR1CNR2GPR18GPR55TSHR
SCHEMBL28042628 0.83 HSPA5 (0.48) TSHRHTR1A

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