SCHEMBL11512142

SCHEMBL11512142

C#C[C@H](CCCCC)OC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.40
GPR84 Q9NQS5 5/20 0.38
CA1 P00915 2/20 0.38
FFAR1 O14842 1/20 0.38
PRKCA P17252 2/20 0.38
ZDHHC7 Q9NXF8 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.37
LCK P06239 1/20 0.37
PPARD Q03181 1/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
LMNA P02545 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL11606407 1.00 FAAH (0.40) FAAHGPR84CA1FFAR1PRKCA
SCHEMBL11512138 1.00 FAAH (0.40) FAAHGPR84CA1FFAR1PRKCA
SCHEMBL4299825 0.88 TSHR (0.36) PRKCAALDH1A1MAPTLMNA
SCHEMBL6382808 0.82 GPR84 (0.44) FAAHGPR84CA1FFAR1PRKCA
SCHEMBL8839863 0.81 LMNA (0.46) FAAHGPR84FFAR1PRKCAALDH1A1
SCHEMBL8839869 0.81 LMNA (0.46) FAAHGPR84FFAR1PRKCAALDH1A1
SCHEMBL1573329 0.81 FAAH (0.40) FAAHGPR84CA1FFAR1PRKCA
SCHEMBL7699097 0.81 FAAH (0.40) FAAHGPR84CA1FFAR1PRKCA
SCHEMBL1535252 0.80 TSHR (0.36) MAPT
SCHEMBL22557813 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4155908-A PSORIASIS, ANTICOAGULANTS MERCK & CO., INC. (US) 1979-05-22 US disclosed
US-4128564-A 9-Thia- and oxothia- and 9-dioxothia-11,12-seco-prostaglandins MERCK & CO., INC. (US) 1978-12-05 US disclosed
US-4102888-A VASODILATORS, ANTITHROMBITIC MERCK & CO., INC. (US) 1978-07-25 US disclosed
US-4097504-A 11,12-Secoprostaglandins MERCK & CO., INC. (US) 1978-06-27 US disclosed
US-4092356-A 11,12-Secoprostaglandins MERCK & CO., INC. (US) 1978-05-30 US disclosed
US-4091107-A RENAL VASODILATORS, ANTICLOTTING AGENTS, GROWTH HORMONE RELEASE, REGULATORS OF IMMUNE RESPONSE MERCK & CO., INC. (US) 1978-05-23 US disclosed
US-4085125-A 9-Thia-, 9-oxothia-, and 9-dioxothia-11,12-seco-prostaglandins and processes MERCK & CO., INC. (US) 1978-04-18 US disclosed
US-4066692-A 11,12-SECOPROSTAGLANDINS MERCK & CO., INC. (US) 1978-01-03 US disclosed
US-4066675-A PSORIASIS, THROMBOSIS MERCK & CO., INC. (US) 1978-01-03 US disclosed
US-4059587-A 8-AZA-9-OXO-11-THIA-PROSTANOIC ACID DERIVATIVES; VASODILATORS, ANTICLOTTING, REGULATORS OF IMMUNE RESPONSE MERCK & CO., INC. (US) 1977-11-22 US disclosed
US-4033996-A RENAL VASODILATORS, ANTITHROMBOSIS, GROWTH HORMONE RELEASING MERCK & CO., INC. (US) 1977-07-05 US disclosed
US-4018802-A SKIN DISEASES, GROWTH HORMONE STIMULANTS, THROMBUS PREVENTION, IMMUNOLOGY MERCK & CO., INC. (US) 1977-04-19 US disclosed
US-3989749-A RENAL VASODILATORS, ANTITHROMBUS MERCK & CO., INC. (US) 1976-11-02 US disclosed
US-3987091-A RENAL VASODILATORS MERCK & CO., INC. (US) 1976-10-19 US disclosed