SCHEMBL27466299

SCHEMBL27466299

CCCC1c2ccc(C(C)(C)C)cc2-c2cc(C(C)(C)C)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 2/20 0.38
CASP3 P42574 2/20 0.38
RAB9A P51151 2/20 0.38
SENP8 Q96LD8 2/20 0.38
SENP7 Q9BQF6 2/20 0.38
SENP6 Q9GZR1 2/20 0.38
PLA2G1B P04054 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL1452812 0.77 ALDH1A1 (0.36) CYP1A2CYP2C19ALDH1A1NPC1CASP3
SCHEMBL28502709 0.76 ALDH1A1 (0.42) CYP1A2CYP2C19ALDH1A1NPC1CASP3
SCHEMBL945915 0.74 ALDH1A1 (0.44) CYP1A2CYP2C19ALDH1A1NPC1CASP3
SCHEMBL18261205 0.74 ALDH1A1 (0.44) CYP1A2CYP2C19ALDH1A1NPC1CASP3
SCHEMBL8857104 0.74 NPC1 (0.42) CYP1A2ALDH1A1NPC1CASP3RAB9A
SCHEMBL1453750 0.73 NFKB1 (0.36) CYP1A2CYP2C19ALDH1A1NPC1CASP3
SCHEMBL540391 0.72 ALDH1A1 (0.47) CYP1A2CYP2C19ALDH1A1NPC1CASP3
SCHEMBL6471561 0.72 ALDH1A1 (0.42) CYP1A2CYP2C19ALDH1A1NPC1CASP3
SCHEMBL27336773 0.71 ALDH1A1 (0.47) CYP1A2CYP2C19ALDH1A1NPC1CASP3
Hydrochloric Acid SCHEMBL14973884 0.71 ALDH1A1 (0.41) CYP1A2CYP2C19ALDH1A1NPC1CASP3

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-1152056-C Polyolefin production ���з����о���˾ 2004-06-02 CN disclosed