SCHEMBL21920117

SCHEMBL21920117

Cc1ccc2c(O)c3cc(C)ccc3cc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 5/20 0.48
▸ CYP2A6 P11509 5/20 0.48
▸ LMNA P02545 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ TDP1 Q9NUW8 2/20 0.41
▸ LDHA P00338 3/20 0.41
▸ LDHB P07195 3/20 0.41
▸ PLG P00747 1/20 0.39
▸ KLK1 P06870 1/20 0.39
▸ TRPA1 O75762 1/20 0.38
▸ ALB P02768 2/20 0.38
▸ TP53 P04637 1/20 0.37
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 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
SCHEMBL21920120 0.91 CYP1A2 (0.50) CYP1A2CYP2A6LMNAKDM4EALDH1A1
Methane SCHEMBL7936815 0.84 CYP2A6 (0.48) CYP1A2CYP2A6ALDH1A1GAAHPGD
SCHEMBL14680504 0.83 MCL1 (0.43) CYP1A2CYP2A6LMNAKDM4EALDH1A1
SCHEMBL3951399 0.81 LMNA (0.59) CYP1A2CYP2A6LMNAKDM4EALDH1A1
SCHEMBL30364922 0.81 LMNA (0.59) CYP1A2CYP2A6LMNAKDM4EALDH1A1
SCHEMBL6343560 0.81 LCK (0.51) CYP1A2CYP2A6LMNAKDM4EALDH1A1
SCHEMBL30587857 0.81 LCK (0.51) CYP1A2CYP2A6LMNAKDM4EALDH1A1
SCHEMBL14606248 0.78 CYP1A2 (0.46) CYP1A2CYP2A6LMNAKDM4EALDH1A1
SCHEMBL11103489 0.78 ALDH1A1 (0.55) CYP1A2CYP2A6LMNAKDM4EALDH1A1
SCHEMBL21751239 0.77 LDHA (0.48) CYP1A2CYP2A6LMNAALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200096825-A1 LIQUID CRYSTAL DISPLAY SHARP KABUSHIKI KAISHA (JP) 2020-03-26 — — US disclosed
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