SCHEMBL11516178

SCHEMBL11516178

[CH]=CCC(F)(F)CCCCC

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.36
LPAR1 Q92633 1/20 0.36
LPAR3 Q9UBY5 1/20 0.36
FAAH O00519 8/20 0.31
TSHR P16473 1/20 0.30
THRB P10828 1/20 0.30
CES1 P23141 5/20 0.30
GGPS1 O95749 2/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
FDPS P14324 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
SCHEMBL11518105 0.98 CES2 (0.39) CES2LPAR1LPAR3FAAHTSHR
SCHEMBL11610801 0.93
SCHEMBL11515548 0.83
SCHEMBL23139281 0.75 CES2 (0.50) CES2LPAR1LPAR3FAAHTSHR
SCHEMBL16171314 0.75 CES2 (0.50) CES2LPAR1LPAR3FAAHTSHR
SCHEMBL28301994 0.75 CES2 (0.50) CES2LPAR1LPAR3FAAHTSHR
SCHEMBL11515987 0.74 TSHR (0.32) TSHRTHRBGGPS1FDPS
SCHEMBL11513761 0.73 TSHR (0.36) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL16925357 0.72 CES2 (0.43) CES2LPAR1LPAR3FAAHTSHR
SCHEMBL8069765 0.72 CES2 (0.43) CES2LPAR1LPAR3FAAHTSHR

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