SCHEMBL25901917

SCHEMBL25901917

C#CCOc1ccccc1C1(C)c2ccccc2-c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 6/20 0.47
▸ MAOA P21397 3/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HTR1A P08908 2/20 0.38
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2A6 P11509 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ TXNRD1 Q16881 1/20 0.35
▸ TXNRD3 Q86VQ6 1/20 0.35
▸ TXNRD2 Q9NNW7 1/20 0.35
▸ PGK1 P00558 1/20 0.34
▸ CYP1A1 P04798 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP1B1 Q16678 1/20 0.34
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL25901923 0.79 ESR1 (0.44) MAOBMAOAMAPTHPGDTSHR
SCHEMBL25901939 0.78 MAOB (0.39) MAOBMAOAMAPTCYP3A4CYP2A6
SCHEMBL26013294 0.77 MAOB (0.64) MAOBMAOAMAPTHTR1ACYP3A4
SCHEMBL25706634 0.75 MAOB (0.39) MAOBMAOAMAPTLMNA
SCHEMBL25141335 0.75 MAOB (0.32) MAOB
SCHEMBL10347560 0.74 MAPT (0.56) MAOBMAOAMAPTCYP3A4CYP2A6
SCHEMBL30663731 0.74 MAPT (0.56) MAOBMAOAMAPTCYP3A4CYP2A6
SCHEMBL25902330 0.74 MAOB (0.36) MAOBMAOACYP3A4CYP2A6
Hydrochloric Acid SCHEMBL21694039 0.72 MAPT (0.55) MAOBMAOAMAPTCYP3A4CYP2A6
SCHEMBL5981851 0.71 MAPT (0.50) MAOBMAPTCYP3A4CYP2A6DRD2

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
US-20230236509-A1 A SPIN COATING COMPOSITION COMPRISING A CARBON MATERIAL, A METAL ORGANIC COMPOUND, AND SOLVENT, AND A MANUFACTURING METHOD OF A METAL OXIDE FILM ABOVE A SUBSTRATE MERCK PERFORMANCE MATERIALS GERMANY GMBH (DE) 2023-07-27 — — US disclosed
US-20230236509-A1 A SPIN COATING COMPOSITION COMPRISING A CARBON MATERIAL, A METAL ORGANIC COMPOUND, AND SOLVENT, AND A MANUFACTURING METHOD OF A METAL OXIDE FILM ABOVE A SUBSTRATE MERCK PERFORMANCE MATERIALS GERMANY GMBH (DE) 2023-07-27 — — US disclosed
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