SCHEMBL7734041

SCHEMBL7734041

CCCCOC(=O)c1ccc([N+](=O)[O-])cc1C(=O)OCCCC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.58
TSHR P16473 4/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
ALDH1A1 P00352 5/20 0.56
CYP3A4 P08684 2/20 0.53
MAPK1 P28482 2/20 0.53
TP53 P04637 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
LMNA P02545 2/20 0.51
ESR1 P03372 1/20 0.51
PKM P14618 1/20 0.50
HSD17B10 Q99714 1/20 0.48
CACNA1F O60840 1/20 0.47
CACNA1D Q01668 1/20 0.47
CACNA1S Q13698 1/20 0.47
CACNA1C Q13936 1/20 0.47
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
ALOX12 P18054 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL27845325 0.94 TSHR (0.60) TDP1TSHRL3MBTL1ALDH1A1CYP3A4
SCHEMBL28067374 0.94 TSHR (0.60) TDP1TSHRL3MBTL1ALDH1A1CYP3A4
SCHEMBL7734024 0.91 CACNA1F (0.58) TDP1TSHRL3MBTL1ALDH1A1CYP3A4
SCHEMBL7733827 0.91 CACNA1F (0.58) TDP1TSHRL3MBTL1ALDH1A1CYP3A4
Sulfuric Acid SCHEMBL28067375 0.90 TSHR (0.55) TDP1TSHRL3MBTL1ALDH1A1CYP3A4
Benzene SCHEMBL28103491 0.89 ALDH1A1 (0.69) TDP1TSHRL3MBTL1ALDH1A1CYP3A4
SCHEMBL7733829 0.89 ALDH1A1 (0.69) TDP1TSHRL3MBTL1ALDH1A1CYP3A4
SCHEMBL7734036 0.89 ALDH1A1 (0.69) TDP1TSHRL3MBTL1ALDH1A1CYP3A4
SCHEMBL11507269 0.89 ALDH1A1 (0.59) TDP1TSHRL3MBTL1ALDH1A1CYP3A4
SCHEMBL12393859 0.89 ADRB2 (0.55) TDP1TSHRL3MBTL1ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104711230-B Hybridoma DBP-4E10 and its dibutyl phthalate monoclonal antibody of generation 江苏衡谱分析检测技术有限公司 2018-08-17 CN claimed
CN-122012407-A Hybridoma cell strain secreting diallyl phthalate monoclonal antibody and application thereof 江南大学 2026-05-12 CN disclosed
CN-104711230-B Hybridoma DBP-4E10 and its dibutyl phthalate monoclonal antibody of generation 江苏衡谱分析检测技术有限公司 2018-08-17 CN disclosed
CN-106588683-A Synthetic method for two groups of butyl benzyl phthalate (BBP) haptens 江苏大学 2017-04-26 CN disclosed
CN-104004719-B One strain phthalate versatility monoclonal antibody hybridoma cell strain and application thereof 无锡迪腾敏生物科技有限公司 2016-08-24 CN disclosed
CN-105572364-A Making method and detection method of kit for detecting di-n-butyl phthalate JIANGSU WISE SCIENCE & TECHNOLOGY DEV CO LTD 2016-05-11 CN disclosed
CN-105037527-A Preparation method and application of dibutyl phthalate artificial coating antigen UNIV SHANGHAI JIAOTONG 2015-11-11 CN disclosed
US-6399318-B1 ANTIGEN WHICH IS CONJUGATE OF CARRIER PROTEIN AND PHTHALIC ACID ESTER OF DEFINED STRUCTURE; FOR DETECTION AND MEASUREMENT OF PLASTICIZERS IN ENVIRONMENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2002-06-04 US disclosed