SCHEMBL9788353

SCHEMBL9788353

CCc1c(C(=O)O)c(=O)cnn1-c1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
MRGPRX4 Q96LA9 3/20 0.37
CFTR P13569 1/20 0.37
MAPT P10636 3/20 0.37
CCR1 P32246 1/20 0.36
GABRB3 P28472 3/20 0.35
GABRA2 P47869 2/20 0.35
GABRB2 P47870 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35

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
SCHEMBL10358134 0.82 POLB (0.40) CRHBPCRHR2NPSR1CDK4CCND1
SCHEMBL9788296 0.80 NR4A3 (0.46) ALDH1A1NR4A3
SCHEMBL9788258 0.76 HCAR1 (0.37) MAPTNPC1RAB9ANR4A3
SCHEMBL10713809 0.75 POLB (0.49) CRHBPCRHR2NPSR1CDK4CCND1
SCHEMBL6052127 0.75 CCR1 (0.48) CRHBPCRHR2NPSR1CDK4CCND1
SCHEMBL122191 0.73 NR4A3 (0.51) NPSR1MAPTNPC1ALDH1A1LMNA
SCHEMBL9005822 0.72 NR4A3 (0.51) MAPTNPC1ALDH1A1LMNAHTT
SCHEMBL4411084 0.72 NR4A3 (0.50) NPSR1MAPTNPC1ALDH1A1LMNA
SCHEMBL9005789 0.72 NR4A3 (0.47) MAPTALDH1A1LMNANR4A3
SCHEMBL9788273 0.71 NR4A3 (0.67) NPSR1MAPTNPC1ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5062880-A Male plant sterility MONSANTO COMPANY (US) 1991-11-05 US disclosed
US-4732603-A ANTIFERTILITY AGENTS ROHM AND HAAS COMPANY (US) 1988-03-22 US disclosed
EP-0049971-B1 SUBSTITUTED PYRIDAZINES, PROCESSES FOR MAKING THEM, THEIR USE AS PLANT GROWTH REGULATORS, AND PLANT GROWTH REGULATING COMPOSITIONS CONTAINING THEM ROHM AND HAAS COMPANY (US) 1987-04-08 EP disclosed
EP-0049971-A1 Substituted pyridazines, processes for making them, their use as plant growth regulators, and plant growth regulating compositions containing them ROHM AND HAAS COMPANY (US) 1982-04-21 EP disclosed