SCHEMBL7186174

SCHEMBL7186174

COc1cccc(O)c1/C=C/C(=O)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.72
MAPT P10636 3/20 0.64
BCHE P06276 3/20 0.64
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
LMNA P02545 1/20 0.64
CYP3A4 P08684 2/20 0.63
CYP1A2 P05177 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
MAOB P27338 2/20 0.56
NR1H4 Q96RI1 1/20 0.56
AURKA O14965 1/20 0.54
BACE1 P56817 2/20 0.54
APP P05067 1/20 0.54
ALDH1A1 P00352 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52

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
SCHEMBL7186177 1.00 ABCG2 (0.72) ABCG2MAPTBCHENPC1RAB9A
SCHEMBL979720 0.91 ABCG2 (0.87) ABCG2MAPTBCHENPC1RAB9A
SCHEMBL979719 0.91 ABCG2 (0.87) ABCG2MAPTBCHENPC1RAB9A
SCHEMBL29211623 0.85 ABCG2 (0.66) ABCG2MAPTLMNACYP2C9CYP2C19
SCHEMBL8066866 0.85 ABCG2 (0.67) ABCG2MAPTLMNACYP1A2NR1H4
SCHEMBL31501089 0.84 BACE1 (0.59) ABCG2MAPTNPC1RAB9ALMNA
SCHEMBL3600036 0.84 CYP1A1 (0.67) ABCG2MAPTCYP3A4CYP1A2APP
SCHEMBL3600030 0.84 CYP1A1 (0.67) ABCG2MAPTCYP3A4CYP1A2APP
SCHEMBL1937970 0.83 MAPT (0.60) ABCG2MAPTBCHENPC1RAB9A
SCHEMBL1937971 0.83 MAPT (0.60) ABCG2MAPTBCHENPC1RAB9A

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 10 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 claimed
EP-0634927-B1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA LICA PHARMACEUTICALS AS (DK) 2001-07-04 EP claimed
EP-0634927-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-01-25 EP claimed
WO-1993017671-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1993-09-16 WO claimed
CN-116836198-A Synthesis method of 2-aryl-4-phosphono-4H-chromene compound 成都大学 2023-10-03 CN disclosed
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