SCHEMBL4630077

SCHEMBL4630077

COC(=O)On1ccc2cc(C)ccc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ MAPT P10636 6/20 0.40
▸ THRB P10828 1/20 0.40
▸ FABP4 P15090 2/20 0.39
▸ TFPI2 P48307 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ TP53 P04637 5/20 0.36
▸ LMNA P02545 4/20 0.36
▸ CHRNA7 P36544 2/20 0.36
▸ RXFP1 Q9HBX9 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL4630078 0.79 NOTUM (0.47) HPGDTP53LMNAKDM4ETSHR
SCHEMBL10524329 0.78 HTR2A (0.45) HTR2AHTR2CMAPTTHRBFABP4
SCHEMBL4175475 0.74 TFPI2 (0.48) HTR2AHTR2CMAPTTHRBFABP4
SCHEMBL4630556 0.73 SLC6A2 (0.36) MAPTFABP4HPGDKDM4E
SCHEMBL4709901 0.72 HTR2A (0.38) HTR2AHTR2CFABP4LMNAKDM4E
SCHEMBL28980350 0.71 FABP4 (0.41) HTR2AHTR2CMAPTTHRBFABP4
SCHEMBL19674140 0.71 ATM (0.57) HTR2AHTR2CMAPTHPGDTP53
SCHEMBL5230412 0.69 CLK1 (0.37) HPGDTP53LMNAKDM4EGLA
SCHEMBL28470000 0.69 TUBB1 (0.49) HTR2CMAPTFABP4TFPI2HPGD
SCHEMBL6901863 0.68 TFPI2 (0.55) HTR2AHTR2CMAPTTHRBFABP4

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-1799797-B1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2008-05-14 — — EP claimed
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