SCHEMBL21168535

SCHEMBL21168535

C/C=C\Cc1ccccc1/C=C\C

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 12/20 0.45
PTGER2 P43116 12/20 0.45
PTGER4 P35408 11/20 0.45
PTGER1 P34995 8/20 0.41
TAAR1 Q96RJ0 3/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ELANE P08246 1/20 0.31
TBXA2R P21731 1/20 0.30
PTGDR Q13258 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL5189464 0.86 PTGER3 (0.45) PTGER3PTGER2PTGER4PTGER1MEN1
SCHEMBL7559119 0.82 TAAR1 (0.41) PTGER3PTGER2PTGER4TAAR1MAOB
SCHEMBL2380218 0.82 ALDH1A1 (0.39) PTGER3PTGER2PTGER4PTGER1TAAR1
SCHEMBL2380222 0.82 ALDH1A1 (0.39) PTGER3PTGER2PTGER4PTGER1TAAR1
SCHEMBL16361680 0.82 GABRA1 (0.41) PTGER3PTGER2PTGER4PTGER1MEN1
SCHEMBL7959776 0.81 PNMT (0.41) PTGER3PTGER2PTGER4TAAR1MEN1
SCHEMBL7959778 0.81 PNMT (0.41) PTGER3PTGER2PTGER4TAAR1MEN1
SCHEMBL9494233 0.78 CHAT (0.40) PTGER3PTGER2PTGER4PTGER1MEN1
SCHEMBL19188151 0.78 CHAT (0.40) PTGER3PTGER2PTGER4PTGER1MEN1
SCHEMBL31094912 0.78 CHAT (0.40) PTGER3PTGER2PTGER4PTGER1MEN1

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
EP-3327024-B1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEMICAL LTD (KR) 2019-07-17 EP disclosed