SCHEMBL12345534

SCHEMBL12345534

C=Cc1ccc(CC(C(=O)O)C(=O)CC(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 2/20 0.41
▸ THRA P10827 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ TAS1R3 Q7RTX0 1/20 0.35
▸ TAS1R1 Q7RTX1 1/20 0.35
▸ PTGS1 P23219 3/20 0.34
▸ PTGS2 P35354 3/20 0.34
▸ CYP2C9 P11712 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ AKR1C3 P42330 2/20 0.34
▸ CXCR1 P25024 2/20 0.34
▸ CXCR2 P25025 2/20 0.34
▸ ALB P02768 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ RARB P10826 1/20 0.34
▸ ADRB3 P13945 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ NR1I3 Q14994 1/20 0.34

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
SCHEMBL5146874 0.82 LDHA (0.52) LDHATAS1R3TAS1R1PTGS1PTGS2
SCHEMBL7443002 0.81 MDM2 (0.50) PTGS1CYP2C9BLMMMECYP2C19
SCHEMBL5142200 0.78 LDHA (0.43) LDHATAS1R3TAS1R1PPARAPPARG
SCHEMBL13101215 0.77 LDHA (0.42) LDHATAS1R3TAS1R1PPARAPPARG
SCHEMBL7950610 0.76 ALDH1A1 (0.41) LDHATAS1R3TAS1R1LMNAESR1
SCHEMBL26907964 0.71 LDHA (0.36) LDHATAS1R3TAS1R1ESR1
SCHEMBL3360097 0.71 SLC7A5 (0.62) PTGS1PTGS2LMNANFKB1HTR2A
SCHEMBL3360096 0.71 SLC7A5 (0.62) PTGS1PTGS2LMNANFKB1HTR2A
SCHEMBL9614800 0.71 MMP8 (0.50) LDHATAS1R3TAS1R1TSHRALDH1A1
SCHEMBL5146853 0.71 PPARG (0.38) LDHAPPARAPPARG

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
EP-1240552-B1 WATER-PROCESSABLE PHOTORESIST COMPOSITIONS INTELLECTUAL VENTURES HOLDING 40 LLC (US) 2012-09-19 — — EP disclosed
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