SCHEMBL7804846

SCHEMBL7804846

CCc1cc(/C=C/C(=O)c2ccc(O)cc2)c(OC)c(CC)c1O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.56
CTSL P07711 4/20 0.54
CTSB P07858 4/20 0.54
CAPN1 P07384 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
MAOB P27338 1/20 0.51
DPP4 P27487 3/20 0.50
MAPT P10636 2/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
P4HB P07237 1/20 0.47
CALM1 P0DP23 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
F3 P13726 1/20 0.47
XDH P47989 1/20 0.47
KMT2A Q03164 1/20 0.47
CHRNA7 P36544 1/20 0.47

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
SCHEMBL7804847 1.00 PTPN1 (0.56) PTPN1CTSLCTSBCAPN1TDP1
SCHEMBL7192730 0.91 CTSL (0.54) PTPN1CTSLCTSBCAPN1TDP1
SCHEMBL7192735 0.91 CTSL (0.54) PTPN1CTSLCTSBCAPN1TDP1
SCHEMBL7192084 0.89 ABCG2 (0.52) PTPN1CTSLCTSBCAPN1TDP1
SCHEMBL7192082 0.89 ABCG2 (0.52) PTPN1CTSLCTSBCAPN1TDP1
SCHEMBL9202115 0.89 PTPN1 (0.58) PTPN1CTSLCTSBCAPN1TDP1
SCHEMBL9202119 0.89 PTPN1 (0.58) PTPN1CTSLCTSBCAPN1TDP1
SCHEMBL7192221 0.89 PTPN1 (0.44) PTPN1CTSLCTSBCAPN1TDP1
SCHEMBL7192224 0.89 PTPN1 (0.44) PTPN1CTSLCTSBCAPN1TDP1
SCHEMBL7184507 0.87 ABCG2 (0.54) PTPN1CTSLCTSBCAPN1TDP1

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-0634927-B1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA LICA PHARMACEUTICALS AS (DK) 2001-07-04 EP disclosed
US-5985935-A PARASITICIDES OR BACTERICIDES STATENS SERUMINSTITUT (DK) 1999-11-16 US disclosed