SCHEMBL8993305

SCHEMBL8993305

CCCCOC(=O)N(c1ccc(C(=O)O)cc1)C1c2ccccc2-c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G4B P0C869 6/20 0.43
▸ TSHR P16473 3/20 0.42
▸ TP53 P04637 1/20 0.42
▸ PLA2G4A P47712 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ NR1H2 P55055 1/20 0.40
▸ RNASEL Q05823 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ RARB P10826 4/20 0.40
▸ HTT P42858 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ALOX5 P09917 2/20 0.38
▸ PTGES O14684 1/20 0.37
▸ CSNK2A2 P19784 1/20 0.37

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
SCHEMBL2490239 0.81 GAA (0.41) TSHRLMNATDP1L3MBTL1
SCHEMBL5330089 0.69 FABP5 (0.43) TSHR
SCHEMBL18170903 0.68 FABP5 (0.44) SMN1; SMN2
SCHEMBL6938982 0.68 MAPT (0.39) LMNAL3MBTL1
Butylparaben SCHEMBL23458813 0.68 ESR1 (0.79) TSHRLMNAESR1CYP1A2CYP2D6
Benzoic Acid SCHEMBL2470729 0.68 ALDH1A1 (0.62) PLA2G4BTSHRTP53LMNAMAPK1
Benzoic Acid SCHEMBL21332486 0.68 LMNA (0.71) TSHRTP53LMNAESR1CYP1A2
SCHEMBL29042899 0.68 TSHR (0.54) TSHRTP53LMNAESR1CYP1A2
Terephthalic Acid SCHEMBL21044732 0.68 TSHR (0.74) PLA2G4BTSHRTP53LMNAESR1
SCHEMBL37477 0.68 TSHR (0.74) PLA2G4BTSHRTP53LMNAESR1

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-5519043-A ANTIINFLAMMATORY AGENTS WITH AMIDE, CARBAMATE OR THIOCARBAMATE GROUPS ON FLUORENE AND BENZENE SCIOS NOVA INC. (US) 1996-05-21 — — US claimed
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