SCHEMBL7180105

SCHEMBL7180105

Cc1cc(/C=C/C(=O)c2ccc(O)cc2)c(OC(C)C)c(C)c1O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CHRNA7 P36544 1/20 0.47
MAOB P27338 2/20 0.45
DPP4 P27487 3/20 0.44
MAPT P10636 4/20 0.44
RAB9A P51151 4/20 0.44
POLB P06746 1/20 0.44
MAOA P21397 1/20 0.44
NPC1 O15118 3/20 0.44
PTPN1 P18031 3/20 0.44
KDM4E B2RXH2 2/20 0.44
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL7180108 1.00 CAPN1 (0.48) CAPN1CTSLCTSBTDP1CHRNA7
SCHEMBL7191456 0.91 CTSL (0.48) CTSLCTSBPTPN1
SCHEMBL7191453 0.91 CTSL (0.48) CTSLCTSBPTPN1
SCHEMBL7185013 0.89 CTSL (0.39) CTSLCTSB
SCHEMBL7185016 0.89 CTSL (0.39) CTSLCTSB
SCHEMBL3969812 0.87 CAPN1 (0.45) CAPN1CTSLCTSBTDP1CHRNA7
SCHEMBL7191606 0.86 CTSL (0.58) CAPN1CTSLCTSBTDP1CHRNA7
SCHEMBL7191609 0.86 CTSL (0.58) CAPN1CTSLCTSBTDP1CHRNA7
SCHEMBL7179040 0.83 ABCG2 (0.53) CAPN1CTSLCTSBTDP1CHRNA7
SCHEMBL7179038 0.83 ABCG2 (0.53) CAPN1CTSLCTSBTDP1CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6603046-B1 The invention is drawn to novel bis-aromatic a, beta -unsaturated ketones. The compounds are useful in the treatment and prophylaxis of diseases caused by parasites or bacteria. LICA PHARMACEUTICALS A/S (DK) 2003-08-05 US disclosed
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
EP-0634927-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-01-25 EP disclosed
WO-1993017671-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1993-09-16 WO disclosed