SCHEMBL11451100

SCHEMBL11451100

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 8/20 0.48
▸ PTGER2 P43116 7/20 0.48
▸ TSHR P16473 3/20 0.48
▸ NR4A2 P43354 3/20 0.48
▸ PTGER4 P35408 3/20 0.48
▸ ABCC4 O15439 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ ABCC3 O15438 1/20 0.48
▸ RARB P10826 1/20 0.48
▸ RARG P13631 1/20 0.48
▸ DRD1 P21728 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ TBXA2R P21731 3/20 0.38
▸ PTGER3 P43115 2/20 0.38

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
SCHEMBL11451101 1.00 PTGIR (0.48) PTGIRPTGER2TSHRNR4A2PTGER4
Methanesulfonamide SCHEMBL11451727 0.95 PTGIR (0.44) PTGIRPTGER2TSHRNR4A2PTGER4
SCHEMBL11449527 0.90 PTGIR (0.61) PTGIRPTGER2TSHRNR4A2PTGER4
SCHEMBL11449528 0.90 PTGIR (0.61) PTGIRPTGER2TSHRNR4A2PTGER4
SCHEMBL11450588 0.86 PTGER3 (0.51) PTGIRPTGER2TSHRPTGER4HPGD
SCHEMBL11450587 0.86 PTGER3 (0.51) PTGIRPTGER2TSHRPTGER4HPGD
Methanesulfonamide SCHEMBL11458516 0.82 PTGER3 (0.47) PTGIRPTGER2TSHRPTGER4HPGD
SCHEMBL11457175 0.82 PTGER4 (0.52) PTGIRPTGER2TSHRNR4A2PTGER4
SCHEMBL11450909 0.82 MEN1 (0.42) PTGIRPTGER2TSHRNR4A2PTGER4
SCHEMBL11450906 0.82 MEN1 (0.42) PTGIRPTGER2TSHRNR4A2PTGER4

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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