SCHEMBL11467592

SCHEMBL11467592

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER2 P43116 3/20 0.64
▸ PTGIR P43119 3/20 0.64
▸ PTGER3 P43115 3/20 0.64
▸ PTGER4 P35408 3/20 0.64
▸ PTGER1 P34995 2/20 0.64
▸ PTGFR P43088 2/20 0.64
▸ NR1I2 O75469 1/20 0.64
▸ ESR1 P03372 1/20 0.64
▸ PGR P06401 1/20 0.64
▸ HPGD P15428 1/20 0.64
▸ TSHR P16473 1/20 0.64
▸ TBXA2R P21731 1/20 0.64
▸ MAPK1 P28482 1/20 0.64
▸ OPRK1 P41145 1/20 0.64
▸ PDE4D Q08499 1/20 0.64
▸ PTGDR Q13258 1/20 0.60
▸ MEN1 O00255 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ MGLL Q99685 1/20 0.46

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
SCHEMBL11458881 1.00 PTGER2 (0.64) PTGER2PTGIRPTGER3PTGER4PTGER1
Methanesulfonamide SCHEMBL11450284 0.95 PTGER2 (0.58) PTGER2PTGIRPTGER3PTGER4PTGER1
SCHEMBL11450068 0.91 PTGER3 (0.54) PTGER2PTGIRPTGER3PTGER4PTGER1
SCHEMBL11450066 0.91 PTGER3 (0.54) PTGER2PTGIRPTGER3PTGER4PTGER1
SCHEMBL11458886 0.89 PTGIR (0.50) PTGER2PTGIRPTGER3PTGER4PTGER1
SCHEMBL11458887 0.89 PTGIR (0.50) PTGER2PTGIRPTGER3PTGER4PTGER1
Methanesulfonamide SCHEMBL11457171 0.86 PTGER3 (0.49) PTGER2PTGIRPTGER3PTGER4PTGER1
SCHEMBL4093287 0.86 PTGIR (0.62) PTGER2PTGIRPTGER3PTGER4PTGER1
SCHEMBL4448944 0.86 PTGIR (0.62) PTGER2PTGIRPTGER3PTGER4PTGER1
SCHEMBL20815456 0.86 PTGIR (0.62) PTGER2PTGIRPTGER3PTGER4PTGER1

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 claimed
Send feedback