Benzene

Benzene

SCHEMBL27257404

Cc1ccc(OP(=O)(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1.c1ccccc1

nearest known ligand 0.91

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.91
▸ TSHR P16473 2/20 0.91
▸ ALDH1A1 P00352 2/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ MEN1 O00255 7/20 0.53
▸ KMT2A Q03164 7/20 0.53
▸ LMNA P02545 2/20 0.53
▸ MAPT P10636 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.51
▸ HSP90AA1 P07900 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ ACHE P22303 1/20 0.44
▸ HCRTR1 O43613 1/20 0.43
▸ SRC P12931 1/20 0.43

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
Benzene SCHEMBL28262633 0.98 CYP3A4 (0.86) CYP3A4TSHRALDH1A1MAPK1TDP1
Triphenyl Phosphate SCHEMBL4087814 0.96 CYP3A4 (0.83) CYP3A4TSHRALDH1A1MAPK1TDP1
Toluene SCHEMBL28113409 0.96 TSHR (0.83) CYP3A4TSHRALDH1A1MAPK1TDP1
SCHEMBL381595 0.96 CYP3A4 (0.83) CYP3A4TSHRALDH1A1MAPK1TDP1
SCHEMBL35597 0.96 CYP3A4 (0.83) CYP3A4TSHRALDH1A1MAPK1TDP1
Triphenyl Phosphate SCHEMBL27323542 0.96 CYP3A4 (0.83) CYP3A4TSHRALDH1A1MAPK1TDP1
SCHEMBL9657737 0.96 CYP3A4 (0.83) CYP3A4TSHRALDH1A1MAPK1TDP1
SCHEMBL131412 0.95 TSHR (1.00) CYP3A4TSHRALDH1A1MAPK1TDP1
SCHEMBL21582 0.95 TSHR (1.00) CYP3A4TSHRALDH1A1MAPK1TDP1
SCHEMBL10336991 0.95 TSHR (1.00) CYP3A4TSHRALDH1A1MAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108192389-A A kind of preparation method of nano ceramics fireproof coating 成都今天化工有限公司 2018-06-22 — — CN claimed
CN-108277068-A A kind of biodegradable fire resistant hydraulic fluid 纳拓润滑技术江苏有限公司 2018-07-13 — — CN disclosed
CN-108084975-A A kind of LED magnalium base composite heat dissipation materials 广东科立盈光电技术有限公司 2018-05-29 — — CN disclosed
CN-106623759-A Preparation method of high temperature-resistant type precoated sand 西峡县北雁铸造材料有限公司 2017-05-10 — — CN disclosed
CN-106611630-A Ship-used power cable 安徽天元电缆有限公司 2017-05-03 — — CN disclosed
CN-101469280-B Coking and fouling inhibitor and use method thereof in heavy oil precessing system CHINA PETROCHEMICAL CORP 2012-08-29 — — CN disclosed
CN-101469280-A Coking and fouling inhibitor and use method thereof in heavy oil precessing system CHINA PETROCHEMICAL CORP (CN) 2009-07-01 — — CN disclosed
CN-1305923-C Polyurea-carbamate rheology control agent and its preparation method BYK CHEMICAL AG (DE) 2007-03-21 — — CN disclosed
CN-1495211-A Polyurea-carbamate rheology control agent and its preparation method �ȿ˻�ѧ�ɷ����޹�˾ 2004-05-12 — — CN disclosed
CN-1024797-C Indole derivatives OTSUKA CHEMICAL CO LTD (JP) 1994-06-01 — — CN disclosed
CN-1049155-A INDOLE DERIVATIVES OTSUKA CHEMICAL CO LTD (JP) 1991-02-13 — — CN disclosed
Send feedback