SCHEMBL11518285

SCHEMBL11518285

[CH]=CCC(C)(C)Oc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA4 P22748 1/20 0.34
▸ RIPK1 Q13546 1/20 0.34
▸ PPARG P37231 5/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ KCNA3 P22001 1/20 0.32
▸ LTA4H P09960 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ PPARA Q07869 2/20 0.32
▸ MAPK1 P28482 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HTR1D P28221 1/20 0.31
▸ HTR1B P28222 1/20 0.31
▸ HPGD P15428 1/20 0.30

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
SCHEMBL11514983 0.81 PPARA (0.44) PPARGSLC6A2TSHRPPARAMAPK1
SCHEMBL11517918 0.81 NFE2L2 (0.36) PPARGPPARAALDH1A1CYP2D6LMNA
SCHEMBL4407067 0.80 PPARG (0.36) CA4RIPK1PPARGSLC6A2TAAR1
SCHEMBL11518530 0.79 POLB (0.37) SLC6A2MAPK1LMNA
SCHEMBL11515724 0.79 NFE2L2 (0.38) PPARGPPARAHPGD
SCHEMBL11515781 0.78 PPARA (0.36) PPARGPPARA
SCHEMBL28141859 0.76 CA4 (0.42) CA4RIPK1PPARGSLC6A2TAAR1
SCHEMBL183720 0.74 LTA4H (0.40) CA4RIPK1PPARGSLC6A2TAAR1
SCHEMBL899654 0.72 RIPK1 (0.41) CA4RIPK1PPARGSLC6A2TAAR1
SCHEMBL7018083 0.72 CA4 (0.39) CA4RIPK1PPARGSLC6A2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE29926-E 2-Decarboxy-2-hydroxy-methyl-16-fluoro-PGE1 compounds THE UPJOHN COMPANY (US) 1979-03-06 — — US disclosed
US-4122282-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-10-24 — — US disclosed
US-4107191-A PROSTAGLANDINS, BLOOD PRESSURE LOWERING, LABOR INDUCTION, REPRODUCTIVE-CYCLE REGULATION, GASTRIC ANTISECRETORY THE UPJOHN COMPANY (US) 1978-08-15 — — US disclosed
US-4104474-A PROSTAGLANDINS, HYPOTENSIVE, OXYTOCICS, ANTIFERTILITY, ANTISECRETORY THE UPJOHN COMPANY (US) 1978-08-01 — — US disclosed
US-4099014-A BLOOD PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1978-07-04 — — US disclosed
US-4099015-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-07-04 — — US disclosed
US-4086258-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-04-25 — — US disclosed
US-4085139-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-04-18 — — US disclosed
US-4081478-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-03-28 — — US disclosed
US-4073808-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-02-14 — — US disclosed
US-4058564-A PROSTAGLANDINS; HYPOTENSIVE, LABOR INDUCERS, ANTISECRETORY THE UPJOHN COMPANY (US) 1977-11-15 — — US disclosed
US-4055602-A PROSTAGLANDIN THE UPJOHN COMPANY (US) 1977-10-25 — — US disclosed
US-4033989-A 9-Deoxy-PGF2 Analogs THE UPJOHN COMPANY (US) 1977-07-05 — — US disclosed
US-4029681-A 13,14-Didehydro-PG analogs THE UPJOHN COMPANY (US) 1977-06-14 — — US disclosed
US-4028419-A PROSTAGLANDINS THE UPJOIN COMPANY (US) 1977-06-07 — — US disclosed
US-4026909-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1977-05-31 — — US disclosed
US-4018803-A 13,14-Didehydro-PG3 compounds THE UPJOHN COMPANY (US) 1977-04-19 — — US disclosed
US-4016184-A PROSTAGLANDINS, BLOOD PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1977-04-05 — — US disclosed
US-4013695-A PROSTAGLANDINS, HYPOTENSIVES, OXYTOCICS, ANTISECRETORY AND ANTIULCER AGENTS, REPRODUCTION CONTROL THE UPJOHN COMPANY (US) 1977-03-22 — — US disclosed
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