SCHEMBL3865736

SCHEMBL3865736

O=C(O)NCCCc1cccc(C#CCCCCO)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
PTGES O14684 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
FFAR1 O14842 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL3839194 0.96 L3MBTL1 (0.40) CNR1CNR2CYP4F2CYP4A11PTGES
SCHEMBL3836753 0.88 PTGES (0.47) PTGESKDM4EPOLBMTNR1AMTNR1B
SCHEMBL611662 0.88 FFAR1 (0.49) CNR1PTGESKDM4EPOLBL3MBTL1
SCHEMBL3863964 0.86 PTGES (0.48) PTGESKDM4EPOLBMTNR1AMTNR1B
SCHEMBL610995 0.86 KDM4E (0.44) KDM4EPOLBMTNR1AMTNR1BFFAR1
SCHEMBL3865432 0.85 KDM4E (0.45) KDM4EPOLBMTNR1AMTNR1BFFAR1
SCHEMBL3837675 0.84 L3MBTL1 (0.42) PTGESKDM4EPOLBL3MBTL1MTNR1A
SCHEMBL236269 0.83 TDP1 (0.48) HTR2CHTR2BCYP4F2CYP4A11PTGES
SCHEMBL3843278 0.83 PTGES (0.54) PTGESKDM4EPOLBL3MBTL1FFAR1
SCHEMBL610894 0.80 TDP1 (0.46) PTGESMTNR1AMTNR1B

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