SCHEMBL11616660

SCHEMBL11616660

[CH2]CC(O)C(F)(F)CCCC

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.31
LPAR1 Q92633 1/20 0.31
LPAR3 Q9UBY5 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
FAAH O00519 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
SCHEMBL11613566 0.92 CES2 (0.41) CES2LPAR1LPAR3FAAH
SCHEMBL24248160 0.80 CES2 (0.32) CES2LPAR1LPAR3FAAH
SCHEMBL5753516 0.80 LMNA (0.33) CES2LPAR1LPAR3FAAH
SCHEMBL9767786 0.77 GPR84 (0.41) CES2LPAR1LPAR3FAAH
SCHEMBL21500583 0.77 ALDH1A1 (0.35) CES2LPAR1LPAR3
SCHEMBL11614351 0.76 TSHR (0.33) ESR1ESR2
SCHEMBL21500596 0.75
SCHEMBL16601030 0.72 TSHR (0.31) CES2LPAR1LPAR3
SCHEMBL11664055 0.71
SCHEMBL21938390 0.69 CES2 (0.32) CES2LPAR1LPAR3FAAH

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-4122282-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-10-24 US disclosed
US-4099014-A BLOOD PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1978-07-04 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-4033989-A 9-Deoxy-PGF2 Analogs THE UPJOHN COMPANY (US) 1977-07-05 US disclosed
US-4016184-A PROSTAGLANDINS, BLOOD PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1977-04-05 US disclosed