SCHEMBL28619356

SCHEMBL28619356

[c]1cccc2cc3cc4ccc(-c5cccc6c5ccc5ccccc56)cc4cc3cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.39
CYP1A2 P05177 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 3/20 0.36
HPGD P15428 1/20 0.36
MCL1 Q07820 1/20 0.36
ACMSD Q8TDX5 1/20 0.36
GSTP1 P09211 1/20 0.36
ERBB2 P04626 1/20 0.35
FYN P06241 1/20 0.35
MAOA P21397 1/20 0.35
ACHE P22303 1/20 0.35
AHR P35869 1/20 0.35
HDAC8 Q9BY41 2/20 0.34
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
PIM1 P11309 2/20 0.34
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
CYP1B1 Q16678 2/20 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
SCHEMBL20774101 0.90 HPRT1 (0.42) HPRT1CYP1A2ALDH1A1HSD17B10HPGD
SCHEMBL20774179 0.88 HPRT1 (0.44) HPRT1CYP1A2ALDH1A1HSD17B10HPGD
SCHEMBL8209023 0.87 GSTP1 (0.35) MCL1ACMSDGSTP1HDAC8HDAC4
SCHEMBL1527419 0.85 HPRT1 (0.54) HPRT1CYP1A2ALDH1A1HSD17B10HPGD
SCHEMBL3775152 0.84 ALDH1A1 (0.40) HPRT1CYP1A2ALDH1A1HSD17B10HPGD
SCHEMBL2267278 0.82 MCL1 (0.44) CYP1A2ALDH1A1HSD17B10MCL1ACMSD
SCHEMBL2274734 0.82 MCL1 (0.44) CYP1A2ALDH1A1HSD17B10MCL1ACMSD
SCHEMBL2273812 0.81 GSTP1 (0.44) CYP1A2MCL1ACMSDGSTP1HDAC8
SCHEMBL4444809 0.80 HPRT1 (0.56) HPRT1CYP1A2ALDH1A1HSD17B10HPGD
SCHEMBL20773998 0.80 ALDH1A1 (0.41) HPRT1CYP1A2ALDH1A1HSD17B10HPGD

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
CN-113165343-A Adhesive composition for light irradiation peeling, laminate, method for producing laminate, and peeling method 日产化学株式会社 2021-07-23 CN disclosed