SCHEMBL19971601

SCHEMBL19971601

CCOC(=O)c1cc(Cl)ccc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.52
TSHR P16473 3/20 0.52
ALOX15 P16050 2/20 0.50
KDM4E B2RXH2 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
JMJD6 Q6NYC1 1/20 0.47
MAOB P27338 1/20 0.47
HSD17B10 Q99714 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 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
SCHEMBL7992264 0.88 MAPK1 (0.51) MAPK1TSHRALOX15KDM4EKMT2A
SCHEMBL235046 0.86 TSHR (0.60) MAPK1TSHRALOX15KDM4EKMT2A
SCHEMBL549144 0.84 MAPK1 (0.54) MAPK1TSHRALOX15KDM4EKMT2A
SCHEMBL11225504 0.84 CYP4F2 (0.67) MAPK1TSHRALOX15KDM4EKMT2A
SCHEMBL5739621 0.84 TSHR (0.53) MAPK1TSHRKDM4EKMT2ACA12
SCHEMBL1997075 0.84 TSHR (0.60) MAPK1TSHRALOX15KDM4EKMT2A
SCHEMBL25410865 0.83 GAA (0.44) MAPK1ALOX15KMT2AMAPTMEN1
SCHEMBL31435425 0.83 GAA (0.44) MAPK1ALOX15KMT2AMAPTMEN1
SCHEMBL11768705 0.83 CA12 (0.57) TSHRKDM4EKMT2ACA12CA1
SCHEMBL12093159 0.83 CA12 (0.70) TSHRCA12CA1CA2CA7

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
CN-113582843-A Preparation method of 5-chloro-2-fluoro-3-hydroxybenzoic acid ethyl ester 无锡捷化医药科技有限公司 2021-11-02 CN disclosed
WO-2018057219-A1 METHOD OF ALLOCATING INDIVIDUAL OIL OR WATER PRODUCTION CONTRIBUTIONS FROM MULTIPLE COMBINED SOURCES SPECTRUM TRACER SERVICES, LLC (US) 2018-03-29 WO disclosed
US-20180080314-A1 METHOD OF ALLOCATING INDIVIDUAL OIL OR WATER PRODUCTION CONTRIBUTIONS FROM MULTIPLE COMBINED SOURCES SPECTRUM TRACER SERVICES, LLC 2018-03-22 US disclosed