SCHEMBL9407355

SCHEMBL9407355

C=CCOC(CO)CCCCCCCCCCCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
TSHR P16473 2/20 0.42
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
CYP2D6 P10635 2/20 0.38
SPHK1 Q9NYA1 1/20 0.38
GMNN O75496 1/20 0.38
POLB P06746 1/20 0.38
THPO P40225 1/20 0.38
MTOR P42345 1/20 0.38
BLM P54132 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CETP P11597 1/20 0.38
HTT P42858 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
SCHEMBL25125852 0.89 TSHR (0.43) LMNATSHRALDH1A1SMPD1
SCHEMBL16107215 0.89 TSHR (0.43) LMNATSHRALDH1A1SMPD1
SCHEMBL1817041 0.85 TSHR (0.41) LMNATSHRALDH1A1SMPD1
SCHEMBL29287268 0.85 TSHR (0.41) LMNATSHRALDH1A1SMPD1
SCHEMBL28634941 0.85 TSHR (0.39) LMNATSHRALDH1A1
SCHEMBL15978448 0.81 TSHR (0.41) TSHRALDH1A1
SCHEMBL10564674 0.81 USP2 (0.53) MAPTALDH1A1CNR1CNR2HTT
SCHEMBL28854928 0.81 USP2 (0.53) MAPTALDH1A1CNR1CNR2HTT
SCHEMBL18831991 0.81
SCHEMBL168529 0.80 GPR84 (0.49) LMNATSHRMAPTMAPK1GMNN

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6157956-A None JP disclosed
JP-H06157956-A RECORDING INK RICOH CO LTD 1994-06-07 JP disclosed