SCHEMBL11744482

SCHEMBL11744482

CC(C(=O)O)c1cc(SC(F)F)c2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.53
AKR1C3 P42330 9/20 0.49
AKR1C2 P52895 9/20 0.49
PTGS2 P35354 6/20 0.41
PRNP P04156 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PTGS1 P23219 7/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SLC22A6 Q4U2R8 2/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
HIF1A Q16665 2/20 0.40
FABP2 P12104 1/20 0.40
TSHR P16473 1/20 0.40
AKR1C4 P17516 1/20 0.40
ADRA2B P18089 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR2C P28335 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
SCHEMBL11780974 0.84 AKR1B1 (0.57) AKR1B1AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL11735345 0.79 DRD1 (0.36) AKR1B1AKR1C3AKR1C2PRNPRXFP1
SCHEMBL11458752 0.75 AKR1B1 (0.60) AKR1B1AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL11470668 0.72 AKR1B1 (0.57) AKR1B1AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL11736891 0.71 AKR1B1 (0.59) AKR1B1AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL11535815 0.71 AKR1C3 (0.69) AKR1B1AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL11270273 0.70 AKR1B1 (1.00) AKR1B1AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL11478113 0.69 HPGD (0.42) MAPTMEN1KMT2AHPGDTSHR
SCHEMBL28540948 0.69 AKR1B1 (0.58) AKR1B1AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL12431128 0.69 AKR1B1 (0.69) AKR1B1AKR1C3AKR1C2PTGS2PTGS1

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-4045485-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC AND ANTIPRURITIC ACTIVITY SYNTEX CORPORATION (US) 1977-08-30 US disclosed
US-3960936-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS, SKIN DISORDERS SYNTEX CORPORATION (PM) 1976-06-01 US disclosed
US-3947472-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (PM) 1976-03-30 US disclosed
US-3935273-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (US) 1976-01-27 US disclosed