SCHEMBL11210488

SCHEMBL11210488

CC(C)Cc1cccc(N(C)C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
ALOX5 P09917 2/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SIGMAR1 Q99720 4/20 0.41
MEN1 O00255 1/20 0.41
PTGS1 P23219 3/20 0.40
PTGS2 P35354 3/20 0.40
LMNA P02545 2/20 0.40
CYP2C9 P11712 2/20 0.40
AKR1C3 P42330 2/20 0.40
CXCR1 P25024 2/20 0.40
CXCR2 P25025 2/20 0.40
ALB P02768 1/20 0.40
ESR1 P03372 1/20 0.40
RARB P10826 1/20 0.40
ADRB3 P13945 1/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL18970416 0.87 CRHBP (0.41) CRHBPCRHR2SIGMAR1
SCHEMBL18970326 0.85 ITGB1 (0.48) ALOX5KMT2ASIGMAR1LMNA
SCHEMBL8221546 0.82 TP53 (0.42) SIGMAR1
SCHEMBL18970382 0.82 SENP1 (0.50) KMT2AMEN1
SCHEMBL18039236 0.81 CRHBP (0.47) CRHBPCRHR2KMT2AL3MBTL1SIGMAR1
SCHEMBL13951549 0.81 HSD17B1 (0.46) KMT2AMEN1LMNA
SCHEMBL16274690 0.80 CRHBP (0.46) CRHBPCRHR2KMT2AL3MBTL1SIGMAR1
SCHEMBL4515187 0.80 CRHBP (0.50) CRHBPCRHR2HPGDKMT2AL3MBTL1
SCHEMBL13154972 0.79 ALDH1A1 (0.45) KMT2AL3MBTL1SIGMAR1TSHR
SCHEMBL11465967 0.79 RAB9A (0.40) CRHBPCRHR2ALOX5L3MBTL1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4405614-A INSECTICIDES, MITICIDES, NEMATOCIDES BASF AKTIENGESELLSCHAFT (DE) 1983-09-20 US disclosed