SCHEMBL18700982

SCHEMBL18700982

O=C(O)c1cccc(OCF)c1OCF

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 2/20 0.50
FABP4 P15090 2/20 0.50
FABP5 Q01469 2/20 0.50
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 8/20 0.46
KMT2A Q03164 1/20 0.46
PTK2B Q14289 1/20 0.46
KDM4E B2RXH2 7/20 0.45
HTT P42858 3/20 0.45
HPGD P15428 6/20 0.42
HSD17B10 Q99714 6/20 0.42
ESR1 P03372 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
HMGB1 P09429 1/20 0.41
TSHR P16473 1/20 0.41
GGT1 P19440 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL27041001 0.84 MAPT (0.40) FABP3FABP4FABP5MAPK1ALDH1A1
SCHEMBL6426977 0.83 ALDH1A1 (0.65) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL10456710 0.83 ALDH1A1 (0.51) FABP3FABP4FABP5MAPK1ALDH1A1
SCHEMBL28259939 0.81 ALDH1A1 (0.62) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL28987455 0.81 G6PD (0.50) MAPK1ALDH1A1KMT2APTK2BKDM4E
SCHEMBL1495357 0.81 TSHR (0.52) FABP3FABP4FABP5MAPK1ALDH1A1
SCHEMBL3424538 0.79 MAPK1 (0.53) FABP3FABP4FABP5MAPK1ALDH1A1
SCHEMBL29768766 0.79 MAPK1 (0.53) FABP3FABP4FABP5MAPK1ALDH1A1
SCHEMBL5846509 0.79 KMT2A (0.53) FABP3FABP4FABP5MAPK1ALDH1A1
SCHEMBL13534538 0.79 FABP3 (0.50) FABP3FABP4FABP5MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023165591-A1 COMPOUNDS AND THEIR USES AS LPAR5 ANTAGONISTS IMMUTHER PHARMATECH (SHANGHAI) CO., LTD. (CN) 2023-09-07 WO disclosed
EP-3359620-B1 METHOD OF MONITORING A PARAMETER OF A HYDROCARBON WELL, PIPELINE OR FORMATION JOHNSON MATTHEY PLC (GB) 2022-11-30 EP disclosed
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