SCHEMBL13674239

SCHEMBL13674239

CC(C)(C)c1ccc(N2C(=O)CCC2CCCCCCC(=O)OCCO)cc1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 11/20 0.72
PTGER3 P43115 7/20 0.72
PTGDR Q13258 6/20 0.46
PTGER1 P34995 1/20 0.37
TBXA2R P21731 1/20 0.35
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGER4 P35408 1/20 0.34
MEN1 O00255 1/20 0.33
CNR2 P34972 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CNR1 P21554 1/20 0.33
CYP2C8 P10632 1/20 0.33
CHRM3 P20309 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL13667619 1.00 PTGER2 (0.72) PTGER2PTGER3PTGDRPTGER1TBXA2R
SCHEMBL13667628 0.89 PTGER2 (0.57) PTGER2PTGER3PTGDRKMT2APTGER4
SCHEMBL2992422 0.84 PTGER2 (1.00) PTGER2PTGER3PTGDRPTGER1TBXA2R
SCHEMBL1310059 0.84 PTGER2 (1.00) PTGER2PTGER3PTGDRPTGER1TBXA2R
SCHEMBL1310058 0.84 PTGER2 (1.00) PTGER2PTGER3PTGDRPTGER1TBXA2R
SCHEMBL13385600 0.76 PTGER2 (0.69) PTGER2PTGER3PTGDRPTGER1TBXA2R
SCHEMBL13109270 0.75 PTGER2 (0.64) PTGER2PTGER3PTGDRKMT2ASMN1; SMN2
SCHEMBL10065847 0.75 PTGER2 (0.64) PTGER2PTGER3PTGDRKMT2ASMN1; SMN2
SCHEMBL1311310 0.75 PTGER2 (0.74) PTGER2PTGER3PTGDRTBXA2RKMT2A
SCHEMBL2991664 0.75 PTGER2 (0.74) PTGER2PTGER3PTGDRTBXA2RKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2291368-B1 SUBSTITUTED GAMMA LACTAMS AS THERAPEUTIC AGENTS ALLERGAN INC (US) 2012-12-19 EP disclosed
WO-2009132088-A1 SUBSTITUTED GAMMA LACTAMS AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2009-10-29 WO disclosed