SCHEMBL11450906

SCHEMBL11450906

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ GALR3 O60755 1/20 0.42
▸ PTGER4 P35408 10/20 0.41
▸ PTGER2 P43116 9/20 0.41
▸ PTGER3 P43115 6/20 0.41
▸ NR4A2 P43354 3/20 0.39
▸ TSHR P16473 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ ABCC3 O15438 1/20 0.39
▸ ABCC4 O15439 1/20 0.39
▸ RARB P10826 1/20 0.39
▸ RARG P13631 1/20 0.39
▸ DRD1 P21728 1/20 0.39
▸ PTGIR P43119 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HIF1A Q16665 1/20 0.39

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
SCHEMBL11450909 1.00 MEN1 (0.42) MEN1KMT2AGALR3PTGER4PTGER2
Methanesulfonamide SCHEMBL11449026 0.95 MEN1 (0.39) MEN1KMT2AGALR3PTGER4PTGER2
SCHEMBL11459381 0.88 MEN1 (0.39) MEN1KMT2AGALR3PTGER4PTGER2
SCHEMBL11459382 0.88 MEN1 (0.39) MEN1KMT2AGALR3PTGER4PTGER2
SCHEMBL11450642 0.86 PTGER2 (0.48) MEN1KMT2APTGER4PTGER2PTGER3
SCHEMBL11450644 0.86 PTGER2 (0.48) MEN1KMT2APTGER4PTGER2PTGER3
SCHEMBL11606446 0.84 PTGER4 (0.52) MEN1KMT2AGALR3PTGER4PTGER2
SCHEMBL11606585 0.84 PTGER4 (0.52) MEN1KMT2AGALR3PTGER4PTGER2
SCHEMBL11599613 0.84 PTGER4 (0.52) MEN1KMT2AGALR3PTGER4PTGER2
SCHEMBL11454579 0.83 MEN1 (0.42) MEN1KMT2AGALR3PTGER4PTGER2

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
Send feedback