SCHEMBL4683533

SCHEMBL4683533

CCCOc1cc(NC(=O)O)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.58
HSD17B10 Q99714 1/20 0.58
SMPD1 P17405 1/20 0.47
ALDH1A1 P00352 2/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 2/20 0.42
FAAH O00519 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
CREBBP Q92793 1/20 0.41
KDM4C Q9H3R0 1/20 0.40
TOP2A P11388 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE5A O76074 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
SCHEMBL4688565 0.88 TOP2A (0.52) MAPTALDH1A1L3MBTL1POLBTOP2A
SCHEMBL4687827 0.79 HTT (0.56) MAPTALDH1A1CNR1CNR2POLB
SCHEMBL9794573 0.76 MAPT (0.58) MAPTHSD17B10ALDH1A1POLBCYP1A2
SCHEMBL22502142 0.75 C5 (0.65) MAPTHSD17B10SMPD1CNR2FAAH
SCHEMBL10151472 0.75 ALDH1A1 (0.46) MAPTHSD17B10SMPD1ALDH1A1L3MBTL1
SCHEMBL4689214 0.75 ALDH1A1 (0.47) ALDH1A1POLBCYP1A2CYP2D6CYP2C9
SCHEMBL7961633 0.74 TDP1 (0.56) MAPTHSD17B10ALDH1A1L3MBTL1KMT2A
SCHEMBL18031232 0.74 KDM4E (0.64) MAPTHSD17B10SMPD1ALDH1A1POLB
SCHEMBL7785561 0.74 TRPA1 (0.53) MAPTSMPD1ALDH1A1POLBKDM4E
SCHEMBL28013080 0.74 TDP1 (0.60) MAPTHSD17B10ALDH1A1POLBFAAH

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-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO disclosed