SCHEMBL9308042

SCHEMBL9308042

CC(C)(C)c1ccc(C(C)(C)C)c(Cc2cc(C(C)(C)C)ccc2C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.44
CYP2C19 P33261 4/20 0.42
CYP1A2 P05177 2/20 0.42
ALDH1A1 P00352 4/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HSPA5 P11021 2/20 0.39
CYP2C9 P11712 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
NR1I2 O75469 1/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL2582081 0.86 CYP2C19 (0.47) CYP2D6CYP2C19CYP1A2ALDH1A1HPGD
SCHEMBL944498 0.84 CYP2C19 (0.46) CYP2D6CYP2C19CYP1A2ALDH1A1HPGD
SCHEMBL29259525 0.83 CYP2D6 (0.42) CYP2D6CYP2C19CYP1A2ALDH1A1HPGD
SCHEMBL1990099 0.83 KLF10 (0.50) CYP2D6CYP2C19CYP1A2ALDH1A1HPGD
SCHEMBL24722131 0.79 CYP2D6 (0.40) CYP2D6CYP2C19CYP1A2ALDH1A1HPGD
SCHEMBL10442609 0.77 CYP1A2 (0.47) CYP2D6CYP2C19CYP1A2ALDH1A1HPGD
SCHEMBL18854449 0.77 CYP2D6 (0.44) CYP2D6CYP2C19CYP1A2ALDH1A1HPGD
SCHEMBL23474941 0.76 MEN1 (0.36) CYP2D6HPGDALOX15HSPA5SMN1; SMN2
SCHEMBL51349 0.76 ALDH1A1 (0.61) CYP2D6CYP2C19CYP1A2ALDH1A1HPGD
SCHEMBL51058 0.76 CYP2D6 (0.67) CYP2D6CYP2C19CYP1A2ALDH1A1HPGD

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-5324604-A Multi-active electrophotographic element and imaging process using free radicals as charge transport material EASTMAN KODAK COMPANY (US) 1994-06-28 US claimed
US-5324604-A Multi-active electrophotographic element and imaging process using free radicals as charge transport material EASTMAN KODAK COMPANY (US) 1994-06-28 US disclosed