SCHEMBL11707828

SCHEMBL11707828

O=C(O)Cc1cc(-c2cccc(C(F)(F)F)c2)c2cccoc1-2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
RORC P51449 1/20 0.42
RORB Q92753 1/20 0.42
RXRA P19793 3/20 0.42
RXRB P28702 3/20 0.42
RXRG P48443 3/20 0.42
S1PR4 O95977 1/20 0.41
S1PR5 Q9H228 1/20 0.41
POLB P06746 1/20 0.40
PRMT3 O60678 1/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
PRMT1 Q99873 1/20 0.40
PRMT8 Q9NR22 1/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 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
SCHEMBL11560127 0.83 PTGS1 (0.47) TSHRNPSR1ALDH1A1
SCHEMBL9890640 0.79 PTGER1 (0.53) THRATHRBRORCRORBRXRA
SCHEMBL11554186 0.79 MMP1 (0.41) POLB
SCHEMBL11703426 0.78 FFAR4 (0.45) THRATHRBPOLBTSHRALDH1A1
SCHEMBL11706492 0.77 CAMK2A (0.38) THRATHRB
SCHEMBL11704685 0.77 PTGER1 (0.41) RXRARXRBRXRGUSP2KMO
SCHEMBL11703649 0.76 PTGDR2 (0.44) POLBCHRM1ALDH1A1
SCHEMBL11707818 0.74 ALOX15 (0.51) THRATHRBRORCRORBRXRA
SCHEMBL11702883 0.73 MMP2 (0.45) POLBALDH1A1
SCHEMBL11700514 0.73 ALDH1A1 (0.41) THRBRXRARXRBPOLBUSP2

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-4013692-A ANTIINFLAMMATORY, ANTIPYRETICS, ANALGESICS RIKER LABORATORIES, INC. (US) 1977-03-22 US disclosed