SCHEMBL11517643

SCHEMBL11517643

[CH]=CC(O)C(C)CCCC

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.34
ALDH1A1 P00352 1/20 0.33
ACHE P22303 1/20 0.32
BACE1 P56817 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FDPS P14324 1/20 0.32
DNM1 Q05193 2/20 0.32
TRPA1 O75762 1/20 0.31
DDAH1 O94760 1/20 0.31
GAPDH P04406 1/20 0.31
MAPT P10636 1/20 0.31
CA2 P00918 2/20 0.31
MAPK1 P28482 1/20 0.31
OPRM1 P35372 1/20 0.31
GPR84 Q9NQS5 2/20 0.30
CA1 P00915 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
SCHEMBL11770298 0.86
SCHEMBL11671619 0.77 SPHK1 (0.34) SPHK1ALDH1A1ACHEBACE1TSHR
SCHEMBL30228427 0.77 SPHK1 (0.34) SPHK1ALDH1A1ACHEBACE1TSHR
SCHEMBL29598966 0.77 SPHK1 (0.34) SPHK1ALDH1A1ACHEBACE1TSHR
SCHEMBL8529715 0.76 ACHE (0.35) SPHK1ALDH1A1ACHEBACE1TSHR
SCHEMBL11515839 0.76 MAPT (0.32) ALDH1A1ACHEBACE1TSHRSMN1; SMN2
SCHEMBL11399607 0.75 ALDH1A1 (0.31) ALDH1A1
SCHEMBL13560264 0.74 ACHE (0.34) SPHK1ALDH1A1ACHEBACE1TSHR
SCHEMBL11198762 0.74 ACHE (0.38) SPHK1ALDH1A1ACHEBACE1TRPA1
SCHEMBL11516038 0.73

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-4100355-A 8β,12α-PGE2 -type compounds THE UPJOHN COMPANY (US) 1978-07-11 US disclosed
US-4099014-A BLOOD PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1978-07-04 US disclosed
US-4097675-A 8β, 12α, 15β-PGF2α Compounds THE UPJOHN COMPANY (US) 1978-06-27 US disclosed
US-4096342-A 8β,12α,15β-PGE2 compounds THE UPJOHN COMPANY (US) 1978-06-20 US disclosed
US-4095036-A 8β,12α,15β-PGF2 β Compounds THE UPJOHN COMPANY (US) 1978-06-13 US disclosed
US-4085139-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-04-18 US disclosed
US-4084063-A PROSTAGLANDINS; ANTIULCER AGENTS, ANTICOAGULANTS, OXYTOCICS, DECONGESTANTS THE UPJOHN COMPANY (US) 1978-04-11 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-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-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-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
US-3987085-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1976-10-19 US disclosed
US-3969396-A 8β, 11β, 12α-PGE2 compounds THE UPJOHN COMPANY (US) 1976-07-13 US disclosed