SCHEMBL20058320

SCHEMBL20058320

CC1CC[C@@H](C(C)C)[C@H](OCC(=O)OC(C)C)C1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.52
ALDH1A1 P00352 5/20 0.51
CYP19A1 P11511 2/20 0.47
LMNA P02545 2/20 0.46
EPHX1 P07099 3/20 0.46
SERPINE1 P05121 1/20 0.46
KDM4E B2RXH2 2/20 0.44
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
MAPT P10636 3/20 0.44
TSHR P16473 2/20 0.44
IDO1 P14902 1/20 0.44
USP2 O75604 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GAA P10253 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 2/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL16304051 1.00 P2RX4 (0.52) P2RX4ALDH1A1CYP19A1LMNAEPHX1
SCHEMBL18844897 0.89 P2RX4 (0.50) P2RX4ALDH1A1CYP19A1LMNAEPHX1
SCHEMBL9421329 0.88 P2RX4 (0.54) P2RX4ALDH1A1CYP19A1LMNAEPHX1
SCHEMBL15514849 0.87 P2RX4 (0.56) P2RX4ALDH1A1CYP19A1LMNAEPHX1
SCHEMBL16306625 0.87 P2RX4 (0.56) P2RX4ALDH1A1CYP19A1LMNAEPHX1
SCHEMBL18596699 0.84 MAPT (0.54) P2RX4ALDH1A1CYP19A1LMNAEPHX1
SCHEMBL14259581 0.83 P2RX4 (0.55) P2RX4ALDH1A1CYP19A1LMNAEPHX1
SCHEMBL10028312 0.83 P2RX4 (0.55) P2RX4ALDH1A1CYP19A1LMNAEPHX1
SCHEMBL1623512 0.83 P2RX4 (0.55) P2RX4ALDH1A1CYP19A1LMNAEPHX1
SCHEMBL16158123 0.83 P2RX4 (0.55) P2RX4ALDH1A1CYP19A1LMNAEPHX1

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-2793883-B1 TRPM8 ANTAGONISTS DOMPE FARM SPA (IT) 2018-04-18 EP disclosed