SCHEMBL18700970

SCHEMBL18700970

O=C(O)c1ccccc1OCC(Cl)Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.59
KMT2A Q03164 2/20 0.59
PTK2B Q14289 1/20 0.59
KDM4E B2RXH2 8/20 0.57
HTT P42858 3/20 0.57
AGER Q15109 1/20 0.52
HSD17B10 Q99714 6/20 0.50
HPGD P15428 5/20 0.50
ESR1 P03372 1/20 0.49
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
HMGB1 P09429 1/20 0.49
TSHR P16473 1/20 0.49
GGT1 P19440 1/20 0.49
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
BLM P54132 1/20 0.49
NAPRT Q6XQN6 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 1/20 0.47

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
SCHEMBL18700957 0.86 ALDH1A1 (0.56) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL16836611 0.82 ALDH1A1 (0.59) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL477006 0.82 ALDH1A1 (0.59) ALDH1A1KMT2APTK2BKDM4EHTT
Benzene SCHEMBL28043964 0.81 ALDH1A1 (0.57) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL17799583 0.81 ALDH1A1 (0.57) ALDH1A1KMT2APTK2BKDM4EHTT
Bicarbonate SCHEMBL20694841 0.81 ALDH1A1 (0.57) ALDH1A1KMT2APTK2BKDM4EHTT
Bicarbonate SCHEMBL29943829 0.81 ALDH1A1 (0.57) ALDH1A1KMT2APTK2BKDM4EHTT
Bicarbonate SCHEMBL236893 0.81 ALDH1A1 (0.57) ALDH1A1KMT2APTK2BKDM4EHTT
Oxalic Acid SCHEMBL18197496 0.80 ALDH1A1 (0.49) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL2352848 0.79 ALDH1A1 (0.65) ALDH1A1KMT2APTK2BKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10365262-B2 Method of monitoring a parameter of a hydrocarbon well, pipeline or formation JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2019-07-30 US disclosed
US-20180284096-A1 METHOD OF MONITORING A PARAMETER OF A HYDROCARBON WELL, PIPELINE OR FORMATION TRACERCO LIMITED (GB) 2018-10-04 US disclosed
WO-2017060702-A1 METHOD OF MONITORING A PARAMETER OF A HYDROCARBON WELL, PIPELINE OR FORMATION JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2017-04-13 WO disclosed