SCHEMBL5031870

SCHEMBL5031870

O=C(NCc1cccc(CC2(C(=O)O)C=CCO2)c1)c1ccc(Cl)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
HPGD P15428 4/20 0.42
TMEM97 Q5BJF2 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
ESR1 P03372 1/20 0.40
APEX1 P27695 1/20 0.40
P2RX7 Q99572 1/20 0.40
THRB P10828 1/20 0.40
RECQL P46063 1/20 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
SCHEMBL5030063 0.90 CHRM3 (0.42) HPGDALDH1A1NPC1RAB9APOLB
SCHEMBL5029832 0.86 ALDH1A1 (0.39) HPGDGAAALDH1A1SMN1; SMN2CYP1A2
SCHEMBL5032948 0.86 ALDH1A1 (0.43) LMNAHPGDALDH1A1SMN1; SMN2CYP3A4
SCHEMBL5034494 0.85 ALDH1A1 (0.42) LMNAHPGDGAAALDH1A1SMN1; SMN2
SCHEMBL5032956 0.85 HRH3 (0.38) ALDH1A1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL5031908 0.83 PPARA (0.41) LMNAHPGDRECQLMEN1KMT2A
SCHEMBL5034484 0.78 LMNA (0.43) LMNAHTTHPGDTMEM97SIGMAR1
SCHEMBL5032938 0.77 PPARA (0.49) LMNAHPGDGAASMN1; SMN2NPC1
SCHEMBL5034466 0.75 HTT (0.43) LMNAHTTHPGDGAAALDH1A1
SCHEMBL5029970 0.75 PPARA (0.44) LMNAHTTHPGDGAAALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371777-B2 Cyclic compound and PPAR agonist EISAI CO., LTD. (JP) 2008-05-13 US disclosed
US-7371777-B2 Cyclic compound and PPAR agonist EISAI CO., LTD. (JP) 2008-05-13 US disclosed
US-7371777-B2 Cyclic compound and PPAR agonist EISAI CO., LTD. (JP) 2008-05-13 US disclosed