SCHEMBL4454034

SCHEMBL4454034

Cc1cccc(POC2CCC2)c1C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.35
HTR2C P28335 2/20 0.34
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
ALOX12 P18054 1/20 0.32
TRPA1 O75762 1/20 0.31
POLB P06746 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31

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
SCHEMBL4462042 0.93 HTR2C (0.36) ATMHTR2CLMNAGAAALOX12
SCHEMBL4454265 0.71 TRPA1 (0.39) ATMTRPA1
SCHEMBL4450169 0.71 TAAR1 (0.34)
SCHEMBL31507262 0.70 TRPA1 (0.46) ATMHTR2CTRPA1
SCHEMBL4256593 0.70 TRPA1 (0.46) ATMHTR2CTRPA1
SCHEMBL4454847 0.69
SCHEMBL4462607 0.67 TRPA1 (0.35) ATMGAATRPA1
SCHEMBL5988705 0.65 TSHR (0.41) ATMLMNATRPA1
SCHEMBL4458070 0.64 HTR1B (0.35) ATMLMNAGAATRPA1
SCHEMBL11586746 0.64 MCHR1 (0.46) LMNAGAAALOX12POLB

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
US-7612148-B2 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2009-11-03 US disclosed
US-20080146733-A1 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2008-06-19 US disclosed