SCHEMBL11449527

SCHEMBL11449527

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 9/20 0.61
▸ PTGER2 P43116 6/20 0.61
▸ TSHR P16473 3/20 0.61
▸ PTGER4 P35408 3/20 0.61
▸ HPGD P15428 2/20 0.61
▸ MAPK1 P28482 2/20 0.61
▸ ABCC4 O15439 2/20 0.61
▸ LMNA P02545 2/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ ABCC3 O15438 1/20 0.61
▸ RARB P10826 1/20 0.61
▸ RARG P13631 1/20 0.61
▸ DRD1 P21728 1/20 0.61
▸ NR4A2 P43354 1/20 0.61
▸ CYP2C19 P33261 1/20 0.61
▸ HIF1A Q16665 1/20 0.61
▸ PTGER3 P43115 3/20 0.44
▸ TBXA2R P21731 2/20 0.44

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
SCHEMBL11449528 1.00 PTGIR (0.61) PTGIRPTGER2TSHRPTGER4HPGD
SCHEMBL11451101 0.90 PTGIR (0.48) PTGIRPTGER2TSHRPTGER4HPGD
SCHEMBL11451100 0.90 PTGIR (0.48) PTGIRPTGER2TSHRPTGER4HPGD
SCHEMBL11449052 0.86 PTGER2 (0.62) PTGIRPTGER2TSHRPTGER4HPGD
SCHEMBL11449051 0.86 PTGER2 (0.62) PTGIRPTGER2TSHRPTGER4HPGD
Methanesulfonamide SCHEMBL11451727 0.86 PTGIR (0.44) PTGIRPTGER2TSHRPTGER4HPGD
SCHEMBL23352769 0.84 PTGIR (0.71) PTGIRPTGER2TSHRPTGER4HPGD
SCHEMBL3365336 0.84 PTGIR (0.71) PTGIRPTGER2TSHRPTGER4HPGD
SCHEMBL11123337 0.84 PTGIR (0.63) PTGIRPTGER2TSHRPTGER4HPGD
SCHEMBL11865322 0.84 PTGIR (0.71) PTGIRPTGER2TSHRPTGER4HPGD

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
US-4235930-A INDUCTION OF MENSTRUATION OR ABORTION SCHERING, A.G. (DE) 1980-11-25 — — US disclosed
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