Benzene

Benzene

SCHEMBL27600976

C=C.CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC.c1ccccc1

nearest known ligand 0.90

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Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.90
TSHR P16473 6/20 0.90
LMNA P02545 2/20 0.90
CYP3A4 P08684 2/20 0.87
MAPK1 P28482 2/20 0.87
TP53 P04637 1/20 0.87
L3MBTL1 Q9Y468 3/20 0.77
TDP1 Q9NUW8 2/20 0.77
HSD17B10 Q99714 2/20 0.72
KDM4E B2RXH2 2/20 0.72
POLB P06746 1/20 0.72
MAPT P10636 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
PRSS1 P07477 1/20 0.56
PRSS2 P07478 1/20 0.56
PRSS3 P35030 1/20 0.56
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54

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
Ethylene SCHEMBL27719832 0.98 ALDH1A1 (0.93) ALDH1A1TSHRLMNACYP3A4MAPK1
Ethylene SCHEMBL27870627 0.98 ALDH1A1 (0.93) ALDH1A1TSHRLMNACYP3A4MAPK1
Hydrogen Peroxide SCHEMBL27884113 0.97 ALDH1A1 (0.96) ALDH1A1TSHRLMNACYP3A4MAPK1
Benzene SCHEMBL27312708 0.97 ALDH1A1 (0.96) ALDH1A1TSHRLMNACYP3A4MAPK1
Benzene SCHEMBL27722744 0.95 ALDH1A1 (0.93) ALDH1A1TSHRLMNACYP3A4MAPK1
Benzene SCHEMBL28838429 0.95 ALDH1A1 (0.93) ALDH1A1TSHRLMNACYP3A4MAPK1
Benzene SCHEMBL28837135 0.95 ALDH1A1 (0.93) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL5072881 0.95 ALDH1A1 (1.00) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL81945 0.95 ALDH1A1 (1.00) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL2527136 0.95 ALDH1A1 (1.00) ALDH1A1TSHRLMNACYP3A4MAPK1

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-109096836-A A kind of fluoro-rubber composite 广州弗西林橡塑有限公司 2018-12-28 CN disclosed
CN-107915975-A A kind of PC alloy materials and its preparation method and application 王鹏 2018-04-17 CN disclosed
CN-100354765-C Semi-conductive roller TOKAI RUBBER IND CO LTD (JP) 2007-12-12 CN disclosed
CN-1519665-A Semi-conductive roller ͬ�Ϳ�ҵ��ʽ���� 2004-08-11 CN disclosed