SCHEMBL31055786

SCHEMBL31055786

CCC#CC[C@H](C)[C@@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 7/20 0.54
▸ PTGER2 P43116 6/20 0.49
▸ PTGER4 P35408 4/20 0.49
▸ LMNA P02545 2/20 0.43
▸ ABCC4 O15439 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ PGR P06401 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ TSHR P16473 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ABCC3 O15438 1/20 0.40
▸ RARB P10826 1/20 0.40
▸ RARG P13631 1/20 0.40

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
SCHEMBL20815454 1.00 PTGIR (0.54) PTGIRPTGER2PTGER4LMNAABCC4
SCHEMBL20815453 1.00 PTGIR (0.54) PTGIRPTGER2PTGER4LMNAABCC4
SCHEMBL20991802 0.85 PTGIR (0.48) PTGIRPTGER2PTGER4LMNAABCC4
SCHEMBL31055793 0.84 PTGIR (0.43) PTGIRPTGER2PTGER4LMNAABCC4
SCHEMBL20991805 0.82 PTGIR (0.41) PTGIRPTGER2PTGER4LMNAABCC4
SCHEMBL20815460 0.81 PTGIR (0.47) PTGIRPTGER2PTGER4LMNAABCC4
SCHEMBL20815462 0.81 PTGIR (0.47) PTGIRPTGER2PTGER4LMNAABCC4
SCHEMBL20815451 0.79 PTGIR (0.63) PTGIRPTGER2PTGER4LMNAABCC4
SCHEMBL20815452 0.79 PTGIR (0.63) PTGIRPTGER2PTGER4LMNAABCC4
SCHEMBL20815474 0.78 PTGIR (0.46) PTGIRPTGER2PTGER4LMNAABCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109071427-B Novel prostaglandin derivative AGC株式会社 2024-08-20 — — CN disclosed
Send feedback