SCHEMBL21913825

SCHEMBL21913825

C=C(/C=C\CC)N(C)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.39
▸ PHGDH O43175 1/20 0.39
▸ MGLL Q99685 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNB4 P30926 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ TSHR P16473 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ EGFR P00533 2/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35

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
SCHEMBL22002870 0.84 NPSR1 (0.38) L3MBTL1ALDH1A1TSHRGLAEGFR
SCHEMBL23254234 0.84 TSHR (0.36) L3MBTL1ALDH1A1TSHRGLAEGFR
SCHEMBL18814886 0.81 ALDH1A1 (0.50) L3MBTL1ALDH1A1TSHRGLAKMT2A
SCHEMBL20172629 0.79 FAAH (0.42) FAAHPHGDHMGLLCA12CA1
SCHEMBL22053528 0.76 FAAH (0.40) FAAHPHGDHMGLLCA12CA1
SCHEMBL22338185 0.76 CYP3A4 (0.46) MGLLLMNAALDH1A1EGFRKMT2A
SCHEMBL24411467 0.75 FAAH (0.39) FAAHPHGDHMGLLCA12CA1
SCHEMBL22053587 0.75 FAAH (0.39) FAAHPHGDHMGLLCA12CA1
SCHEMBL25630960 0.75 FAAH (0.45) FAAHPHGDHMGLLCA12CA1
SCHEMBL21301180 0.73 ALDH1A1 (0.46) L3MBTL1ALDH1A1TSHRGLAKMT2A

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
WO-2023146318-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-08-03 — — WO disclosed
EP-3640252-A1 4H-IMIDAZO[1,2-A]IMIDAZOLES FOR ELECTRONIC APPLICATIONS UDC Ireland Limited (IE) 2020-04-22 — — EP disclosed
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