SCHEMBL4416634

SCHEMBL4416634

CCc1ccc(OCc2ccccc2)c(C(=O)OC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.58
HPGD P15428 2/20 0.52
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 2/20 0.51
HTT P42858 1/20 0.51
PTPN2 P17706 1/20 0.50
PTPN1 P18031 1/20 0.50
PTPN6 P29350 1/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMPD1 P17405 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49

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
SCHEMBL853069 0.90 FOLH1 (0.57) FOLH1HPGDLMNASMN1; SMN2NPC1
SCHEMBL854248 0.89 FOLH1 (0.59) FOLH1HPGDLMNASMN1; SMN2ALDH1A1
SCHEMBL6809837 0.88 FOLH1 (0.54) FOLH1HPGDLMNAALDH1A1HTT
SCHEMBL27820729 0.87 FOLH1 (0.56) FOLH1HPGDLMNASMN1; SMN2ALDH1A1
SCHEMBL8070829 0.87 FOLH1 (0.53) FOLH1HPGDLMNASMN1; SMN2ALDH1A1
SCHEMBL11563262 0.86 MAOB (0.56) FOLH1HPGDLMNASMN1; SMN2NPC1
SCHEMBL11565369 0.86 LRRK2 (0.59) FOLH1HPGDLMNASMN1; SMN2ALDH1A1
SCHEMBL1646582 0.84 RXRA (0.56) FOLH1HPGDLMNASMN1; SMN2NPC1
SCHEMBL6680832 0.84 HPGD (0.51) FOLH1HPGDLMNASMN1; SMN2NPC1
SCHEMBL5431545 0.84 LRRK2 (0.63) FOLH1HPGDLMNAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1299354-B1 FACTOR VIIA INHIBITORY (THIO)UREA DERIVATIVES, THEIR PREPARATION AND THEIR USE SANOFI AVENTIS DEUTSCHLAND (DE) 2009-07-22 EP claimed
EP-1299354-B1 FACTOR VIIA INHIBITORY (THIO)UREA DERIVATIVES, THEIR PREPARATION AND THEIR USE SANOFI AVENTIS DEUTSCHLAND (DE) 2009-07-22 EP disclosed