SCHEMBL2928397

SCHEMBL2928397

CCCCCCCC(C)CC(CC)Cc1ccccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
LMNA P02545 1/20 0.39
TSHR P16473 2/20 0.39
BID P55957 3/20 0.38
MCL1 Q07820 3/20 0.38
BCL2L1 Q07817 2/20 0.38
BAK1 Q16611 2/20 0.38
KAT8 Q9H7Z6 2/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
EP300 Q09472 1/20 0.38
KAT2A Q92830 1/20 0.38
KAT2B Q92831 1/20 0.38
KAT5 Q92993 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
CSNK1E P49674 1/20 0.38
CDC25A P30304 1/20 0.37
CDC25B P30305 1/20 0.37

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
SCHEMBL1311363 0.94 LMNA (0.44) PRSS1PRSS2PRSS3LMNATSHR
SCHEMBL1310747 0.88 TSHR (0.41) LMNATSHRHTR1AMAPT
SCHEMBL28622222 0.88 PRSS1 (0.48) PRSS1PRSS2PRSS3LMNATSHR
SCHEMBL27813140 0.87 TSHR (0.42) TSHRBIDMCL1BCL2L1BAK1
SCHEMBL27776971 0.87 TSHR (0.42) TSHRBIDMCL1BCL2L1BAK1
SCHEMBL27813191 0.86 TSHR (0.44) TSHRBIDMCL1BCL2L1BAK1
SCHEMBL27833253 0.86 TSHR (0.44) TSHRBIDMCL1BCL2L1BAK1
SCHEMBL27813184 0.86 TSHR (0.44) TSHRBIDMCL1BCL2L1BAK1
SCHEMBL27980703 0.86 TSHR (0.44) TSHRBIDMCL1BCL2L1BAK1
SCHEMBL27833312 0.86 TSHR (0.44) TSHRBIDMCL1BCL2L1BAK1

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
EP-2147909-A1 METHOD FOR PRODUCTION OF ISOCYANATE USING COMPOSITION COMPRISING CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND, AND COMPOSITION FOR TRANSPORT OR STORAGE OF CARBAMIC ACID ESTER Asahi Kasei Chemicals Corporation (JP) 2010-01-27 EP disclosed