SCHEMBL4612502

SCHEMBL4612502

CC1CCC(C(C)C)C(OCC([O])=O)C1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.55
ALDH1A1 P00352 4/20 0.55
EPHX1 P07099 3/20 0.49
LMNA P02545 2/20 0.49
SERPINE1 P05121 1/20 0.48
CYP19A1 P11511 2/20 0.47
KDM4E B2RXH2 1/20 0.47
APOBEC3A P31941 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HPGD P15428 1/20 0.45
TRPA1 O75762 2/20 0.44
TRPM8 Q7Z2W7 2/20 0.44
TSHR P16473 2/20 0.44
USP2 O75604 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL717418 0.87 P2RX4 (0.55) P2RX4ALDH1A1EPHX1LMNASERPINE1
SCHEMBL5825056 0.87 P2RX4 (0.55) P2RX4ALDH1A1EPHX1LMNASERPINE1
SCHEMBL1623512 0.87 P2RX4 (0.55) P2RX4ALDH1A1EPHX1LMNASERPINE1
SCHEMBL16518819 0.87 P2RX4 (0.55) P2RX4ALDH1A1EPHX1LMNASERPINE1
SCHEMBL10028312 0.87 P2RX4 (0.55) P2RX4ALDH1A1EPHX1LMNASERPINE1
SCHEMBL14259581 0.87 P2RX4 (0.55) P2RX4ALDH1A1EPHX1LMNASERPINE1
SCHEMBL3923672 0.87 P2RX4 (0.55) P2RX4ALDH1A1EPHX1LMNASERPINE1
SCHEMBL15511284 0.87 P2RX4 (0.55) P2RX4ALDH1A1EPHX1LMNASERPINE1
SCHEMBL16158123 0.87 P2RX4 (0.55) P2RX4ALDH1A1EPHX1LMNASERPINE1
SCHEMBL17473729 0.87 P2RX4 (0.55) P2RX4ALDH1A1EPHX1LMNASERPINE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5196437-A Macrolide FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1993-03-23 US claimed
US-3980700-A Prostaglandin intermediates and optically active isomers thereof G. D. SEARLE & CO. (US) 1976-09-14 US claimed
EP-1304340-B1 RESINS FOR RESISTS AND CHEMICALLY AMPLIFIABLE RESIST COMPOSITIONS MITSUBISHI RAYON CO (JP) 2008-10-29 EP disclosed
US-6927011-B2 Resins for resists and chemically amplifiable resist compositions MITSUBISHI RAYON CO., LTD. (JP) 2005-08-09 US disclosed
US-20030148214-A1 Resins for resists and chemically amplifiable resist compositions MITSUBISHI CHEMICAL CORPORATION (JP) 2003-08-07 US disclosed
EP-1304340-A1 RESINS FOR RESISTS AND CHEMICALLY AMPLIFIABLE RESIST COMPOSITIONS Mitsubishi Rayon Co., Ltd. (JP) 2003-04-23 EP disclosed
US-3980700-A Prostaglandin intermediates and optically active isomers thereof G. D. SEARLE & CO. (US) 1976-09-14 US disclosed