SCHEMBL8489199

SCHEMBL8489199

CCS(=O)(=O)c1ccccc1C(=O)c1cnoc1C1CC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 12/20 0.38
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DHODH Q02127 3/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
PDE2A O00408 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL8889685 0.89 CCNE1 (0.36) NAAADHODHTAS1R3TAS1R1TAS1R2
SCHEMBL8684141 0.89 DHODH (0.33) TSHRSMN1; SMN2DHODHTAS1R3TAS1R1
SCHEMBL8492662 0.88 LMNA (0.43) DHODHTAS1R3TAS1R1TAS1R2PDE2A
SCHEMBL8492604 0.85 DDR1 (0.37) TSHRSMN1; SMN2DHODH
SCHEMBL8492306 0.84 CDK7 (0.39) NAAADHODHTAS1R3TAS1R1TAS1R2
SCHEMBL8890301 0.82 TAS1R3 (0.33) TSHRSMN1; SMN2DHODHTAS1R3TAS1R1
SCHEMBL7575147 0.81 DHODH (0.34) SMN1; SMN2DHODHTAS1R3TAS1R1TAS1R2
SCHEMBL8664269 0.81 DHODH (0.33) DHODHPDE2A
SCHEMBL8890152 0.81 LMNA (0.36) DHODHTAS1R3TAS1R1TAS1R2
SCHEMBL8890477 0.81 NR3C1 (0.38) TSHRDHODHTAS1R3TAS1R1TAS1R2

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
US-5859283-A TERTIARY-BUTYL 3-CYCLOALKYL-3-OXOPROPIONATE RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-12 US disclosed
US-5804532-A REACTING A BENZOYL ISOXAZOLE WITH A BASE RHONE-POULENC AGRICULTURE LIMITED (GB) 1998-09-08 US disclosed
US-5747424-A HEATING AN AROMATIC DIKETONE WITH A SALT OF HYDROXYLAMINE IN A SOLVENT RHONE-POULENC AGRICULTURE LTD. (GB) 1998-05-05 US disclosed
US-5656573-A Herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-12 US disclosed
US-5650533-A Intermediates to herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-07-22 US disclosed