SCHEMBL5006817

SCHEMBL5006817

CC(C(=O)c1ccc(-c2ccc(N)cc2)cc1)C(C)(C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
HTT P42858 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CYP3A4 P08684 3/20 0.39
CYP1A2 P05177 1/20 0.39
MAOA P21397 1/20 0.39
RXRA P19793 3/20 0.37
RXRB P28702 3/20 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
SCHEMBL5006804 0.82 ALDH1A1 (0.47) LMNAHTTSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL5005996 0.81 HDAC1 (0.40) LMNAHTTSMN1; SMN2ALDH1A1RXRA
SCHEMBL5007308 0.79 ALDH1A1 (0.51) LMNAHTTALDH1A1CYP3A4KDM4E
SCHEMBL5009253 0.77 CES2 (0.43) LMNASMN1; SMN2ALDH1A1CA1CA2
SCHEMBL5005972 0.77 TAAR1 (0.37) LMNAHTTSMN1; SMN2ALDH1A1RXRA
SCHEMBL2449415 0.72 KDM4E (0.52) LMNASMN1; SMN2ALDH1A1CYP3A4CYP1A2
SCHEMBL1748034 0.71 SMN1; SMN2 (0.44) LMNASMN1; SMN2ALDH1A1CA12CA1
Benzidine SCHEMBL15658492 0.70 MMP1 (0.51) ALDH1A1MMP1MMP2MMP3MMP7
SCHEMBL31533508 0.70 PARP10 (0.45) LMNASMN1; SMN2ALDH1A1CYP3A4CYP1A2
SCHEMBL9364482 0.70 LMNA (0.44) LMNAHTTSMN1; SMN2ALDH1A1CYP3A4

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-7423156-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2008-09-09 US disclosed