SCHEMBL11612008

SCHEMBL11612008

CCCCC[C@H](O)C=C[C@@H]1CC[C@@H](O)[C@H]1CC=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGFR P43088 8/20 0.45
▸ ALDH1A1 P00352 6/20 0.45
▸ PTGER4 P35408 4/20 0.45
▸ SLCO2A1 Q92959 2/20 0.45
▸ TBXA2R P21731 2/20 0.45
▸ PTGER1 P34995 2/20 0.45
▸ PTGER3 P43115 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ PTGDR Q13258 1/20 0.45
▸ TRPA1 O75762 1/20 0.44
▸ DDAH1 O94760 1/20 0.44
▸ GAPDH P04406 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ HKDC1 Q2TB90 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ SAE1 Q9UBE0 1/20 0.43
▸ UBA2 Q9UBT2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL11746975 0.87 ALDH1A1 (0.46) PTGFRALDH1A1PTGER4SLCO2A1TBXA2R
SCHEMBL11508604 0.86 ALDH1A1 (0.52) PTGFRALDH1A1PTGER4SLCO2A1TBXA2R
SCHEMBL11508605 0.86 ALDH1A1 (0.52) PTGFRALDH1A1PTGER4SLCO2A1TBXA2R
SCHEMBL11508606 0.86 ALDH1A1 (0.52) PTGFRALDH1A1PTGER4SLCO2A1TBXA2R
SCHEMBL11531089 0.84 PDE4D (0.36) PTGFRALDH1A1PTGER4SLCO2A1TBXA2R
SCHEMBL11720178 0.82 TBXA2R (0.62) PTGFRALDH1A1PTGER4SLCO2A1TBXA2R
SCHEMBL11538480 0.82 ALDH1A1 (0.57) PTGFRALDH1A1PTGER4SLCO2A1TBXA2R
SCHEMBL13468495 0.81 ALDH1A1 (0.70) PTGFRALDH1A1PTGER4SLCO2A1TBXA2R
SCHEMBL11727043 0.81 ALDH1A1 (0.61) PTGFRALDH1A1PTGER4SLCO2A1TBXA2R
SCHEMBL13468478 0.81 PTGFR (0.59) PTGFRALDH1A1PTGER4SLCO2A1TBXA2R

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 5 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-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-4013695-A PROSTAGLANDINS, HYPOTENSIVES, OXYTOCICS, ANTISECRETORY AND ANTIULCER AGENTS, REPRODUCTION CONTROL THE UPJOHN COMPANY (US) 1977-03-22 — — US disclosed
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