SCHEMBL3859009

SCHEMBL3859009

CCCC(O)(C#Cc1cccc(C(O)CCNC(=O)O)c1)CCC

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.35
EPHX2 P34913 4/20 0.35
PTGES O14684 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MTNR1A P48039 3/20 0.34
MTNR1B P49286 3/20 0.34
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
NAAA Q02083 2/20 0.32
RIPK1 Q13546 1/20 0.32

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
SCHEMBL3957460 0.91 MTNR1A (0.41) ALOX5EPHX2PTGESSMN1; SMN2ALDH1A1
SCHEMBL233409 0.89 ALOX5 (0.33) ALOX5EPHX2MTNR1AMTNR1BCNR1
SCHEMBL10237439 0.89 ALOX5 (0.33) ALOX5EPHX2MTNR1AMTNR1BCNR1
SCHEMBL233636 0.89 ALOX5 (0.33) ALOX5EPHX2MTNR1AMTNR1BCNR1
SCHEMBL15461598 0.85 RIPK1 (0.36) ALOX5SMN1; SMN2ALDH1A1LMNARAB9A
SCHEMBL232521 0.84 PNMT (0.33) LMNARIPK1
SCHEMBL232520 0.84 PNMT (0.33) LMNARIPK1
SCHEMBL235439 0.84 PNMT (0.33) LMNARIPK1
SCHEMBL3839542 0.81 PTPN11 (0.41) ALOX5EPHX2PTGESMTNR1AMTNR1B
SCHEMBL236990 0.80 CNR1 (0.35) ALOX5EPHX2MTNR1AMTNR1BCNR1

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-2076122-A2 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2009-07-08 EP disclosed
WO-2009005794-A2 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2009-01-08 WO disclosed