SCHEMBL2258149

SCHEMBL2258149

C[C@@](NC(=O)COc1cc(C(F)(F)F)nn1-c1ccccc1Cl)(C(=O)O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.41
▸ SLC16A3 O15427 5/20 0.39
▸ SLC16A1 P53985 4/20 0.39
▸ RXRA P19793 3/20 0.39
▸ NR1H2 P55055 3/20 0.39
▸ NR1H3 Q13133 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ TRPV1 Q8NER1 3/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ CTSA P10619 1/20 0.37
▸ P2RY1 P47900 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ TSHR P16473 1/20 0.36

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
SCHEMBL12361543 0.83 RAB9A (0.51) TGFBR1TRPV1POLBTSHR
SCHEMBL2257314 0.82 TGFBR1 (0.47) TGFBR1ALDH1A1RXRANR1H2NR1H3
SCHEMBL3225749 0.82 TGFBR1 (0.47) TGFBR1ALDH1A1SLC16A3SLC16A1RXRA
SCHEMBL2254229 0.82 KCNJ6 (0.49) TGFBR1P2RY1POLB
SCHEMBL2258904 0.81 P2RY1 (0.51) TGFBR1ALDH1A1KDM4ETRPV1CASP3
SCHEMBL2258277 0.81 GLA (0.48) TGFBR1ALDH1A1KDM4ETRPV1TSHR
SCHEMBL12361506 0.81 TGFBR1 (0.49) TGFBR1ALDH1A1SLC16A3SLC16A1RXRA
SCHEMBL2260793 0.81 TGFBR1 (0.44) TGFBR1ALDH1A1RXRANR1H2NR1H3
SCHEMBL2255891 0.81 TGFBR1 (0.45) TGFBR1ALDH1A1RXRANR1H2NR1H3
SCHEMBL15706879 0.81 RAB9A (0.49) TGFBR1ALDH1A1TRPV1P2RY1POLB

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-7998995-B2 LXR and FXR modulators EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 — — US disclosed
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