SCHEMBL21587189

SCHEMBL21587189

C1=Cc2c(c(-c3cc4ccccc4c4ccccc34)c3ccccc3c2-c2ccc3c(c2)sc2ccccc23)CC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ALOX5 P09917 2/20 0.31
▸ GPR3 P46089 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
SCHEMBL21687015 0.84 ALDH1A1 (0.35) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21587161 0.81 ALDH1A1 (0.33) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21687003 0.81 ALDH1A1 (0.32) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL20650675 0.80 ALDH1A1 (0.44) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL23472983 0.79 ALOX5 (0.30) ALOX5
SCHEMBL23472844 0.79 ALOX5 (0.38) ALOX5
SCHEMBL25972159 0.78 — —
SCHEMBL25981850 0.78 — —
SCHEMBL23719569 0.78 ALOX5 (0.40) ALOX5
SCHEMBL13432262 0.77 — —

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-3579292-B1 ORGANIC LIGHT EMITTING DEVICE LG CHEMICAL LTD (KR) 2020-08-05 — — EP disclosed
EP-3579292-A1 ORGANIC LIGHT EMITTING DEVICE LG Chem, Ltd. (KR) 2019-12-11 — — EP disclosed
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