SCHEMBL25339643

SCHEMBL25339643

CN(C)c1ccc(CCCc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 1/20 0.59
▸ ALDH1A1 P00352 3/20 0.57
▸ MAPK1 P28482 2/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ NPC1 O15118 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ ALOX15 P16050 1/20 0.57
▸ NFKB1 P19838 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ NFKB2 Q00653 1/20 0.57
▸ RELA Q04206 1/20 0.57
▸ MCL1 Q07820 1/20 0.57
▸ SIGMAR1 Q99720 4/20 0.57
▸ CYP3A4 P08684 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ HTR2A P28223 1/20 0.54
▸ CHRM2 P08172 1/20 0.53
▸ HTR1A P08908 1/20 0.53
▸ ADRA2A P08913 1/20 0.53

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
SCHEMBL10534118 0.91 ALDH1A1 (0.58) AOC3ALDH1A1MAPK1SMN1; SMN2NPC1
SCHEMBL6310153 0.91 ALDH1A1 (0.64) AOC3ALDH1A1MAPK1SMN1; SMN2NPC1
SCHEMBL5580184 0.82 ALDH1A1 (0.81) ALDH1A1MAPK1SMN1; SMN2NPC1MAPT
Diphenylmethane SCHEMBL15033700 0.82 ALDH1A1 (0.81) ALDH1A1MAPK1SMN1; SMN2NPC1MAPT
SCHEMBL4405018 0.81 ALDH1A1 (0.70) ALDH1A1MAPK1ALOX15CYP3A4TSHR
SCHEMBL9069707 0.81 HTR2A (0.75) ALDH1A1MAPK1SMN1; SMN2ALOX15SIGMAR1
SCHEMBL14902842 0.80 ALDH1A1 (0.56) ALDH1A1MAPK1ALOX15SIGMAR1CYP3A4
SCHEMBL727512 0.80 ALDH1A1 (0.56) ALDH1A1MAPK1SMN1; SMN2ALOX15CYP3A4
Hydrochloric Acid SCHEMBL8030257 0.80 ALDH1A1 (0.77) ALDH1A1MAPK1SMN1; SMN2NPC1MAPT
SCHEMBL3221096 0.78 ALDH1A1 (0.54) AOC3ALDH1A1MAPK1ALOX15CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12351924-B2 Electroreductive cross coupling OHIO STATE INNOVATION FOUNDATION (US) 2025-07-08 — — US disclosed
US-20230250539-A1 ELECTROREDUCTIVE CROSS COUPLING OHIO STATE INNOVATION FOUNDATION 2023-08-10 — — US disclosed
CN-105073723-A Compounds derived from protected or unprotected iridoids, compositions comprising same, use as dyes for keratin fibres and devices OREAL 2015-11-18 — — CN disclosed
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