SCHEMBL27930641

SCHEMBL27930641

C=CCc1ccc2ccc3cccc4c5ccccc5c1c2c34

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
CYP1A2 P05177 3/20 0.55
HPGD P15428 3/20 0.55
THRB P10828 2/20 0.55
HSD17B10 Q99714 2/20 0.55
ERBB2 P04626 1/20 0.42
FYN P06241 1/20 0.42
MAOA P21397 1/20 0.42
ACHE P22303 1/20 0.42
AHR P35869 1/20 0.42
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
AURKA O14965 1/20 0.35
DAPK3 O43293 1/20 0.35
MAP4K4 O95819 1/20 0.35
RET P07949 1/20 0.35
IGF1R P08069 1/20 0.35
MET P08581 1/20 0.35
PIM1 P11309 1/20 0.35
LTK P29376 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
SCHEMBL8724008 0.93 ALDH1A1 (0.43) ALDH1A1CYP1A2HPGDTHRBHSD17B10
SCHEMBL729571 0.91 ALDH1A1 (0.47) ALDH1A1CYP1A2HPGDTHRBHSD17B10
Acetic Acid SCHEMBL27947444 0.90 ALDH1A1 (0.44) ALDH1A1CYP1A2HPGDTHRBHSD17B10
SCHEMBL16487070 0.82 ALDH1A1 (0.43) ALDH1A1CYP1A2HPGDTHRBHSD17B10
SCHEMBL8724012 0.81 CYP1A2 (0.49) ALDH1A1CYP1A2HPGDTHRBHSD17B10
SCHEMBL27947499 0.81 GABRA1 (0.48) ALDH1A1CYP1A2HPGDTHRBHSD17B10
SCHEMBL728402 0.80 KMT2A (0.47) ALDH1A1CYP1A2HPGDTHRBHSD17B10
SCHEMBL12827498 0.80 GABRA1 (0.42) ALDH1A1CYP1A2HPGDTHRBHSD17B10
SCHEMBL23781282 0.78 CYP1A2 (0.64) ALDH1A1CYP1A2HPGDTHRBHSD17B10
SCHEMBL5831194 0.77 GABRA1 (0.52) ALDH1A1CYP1A2HPGDTHRBHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103450714-B A kind of conductive graphite flake and preparation method thereof TORAY ADVANCED MATERIALS RESEARCH LABORATORIES (CHINA) CO., LTD. (CN) 2015-11-25 CN claimed
CN-103450714-A Conductive graphite flake and preparation method thereof TORAY ADVANCED MATERIALS RES LAB CHINA CO LTD 2013-12-18 CN claimed
CN-103450714-B A kind of conductive graphite flake and preparation method thereof TORAY ADVANCED MATERIALS RESEARCH LABORATORIES (CHINA) CO., LTD. (CN) 2015-11-25 CN disclosed
CN-103450714-A Conductive graphite flake and preparation method thereof TORAY ADVANCED MATERIALS RES LAB CHINA CO LTD 2013-12-18 CN disclosed