SCHEMBL7098094

SCHEMBL7098094

CNc1ccc(C(=O)C=Cc2c(OC)cccc2OC)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 5/20 0.80
MAOA P21397 2/20 0.56
MAPT P10636 3/20 0.55
CYP1A2 P05177 3/20 0.53
CYP2D6 P10635 2/20 0.53
CYP1A1 P04798 1/20 0.53
NPC1 O15118 2/20 0.51
LMNA P02545 2/20 0.51
BCHE P06276 1/20 0.51
RAB9A P51151 1/20 0.51
MAOB P27338 3/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
ALOX5 P09917 1/20 0.50
HPGD P15428 1/20 0.50
RECQL P46063 1/20 0.50
GPR55 Q9Y2T6 1/20 0.50
KRAS P01116 1/20 0.48
ABCB1 P08183 1/20 0.48

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
SCHEMBL7802022 1.00 ABCG2 (0.80) ABCG2MAOAMAPTCYP1A2CYP2D6
SCHEMBL7190980 0.86 ABCG2 (0.58) ABCG2MAOAMAPTCYP1A2CYP2D6
SCHEMBL7190984 0.86 ABCG2 (0.58) ABCG2MAOAMAPTCYP1A2CYP2D6
SCHEMBL7100564 0.86 ABCG2 (0.67) ABCG2MAOAMAPTCYP1A2CYP2D6
SCHEMBL7097765 0.86 ABCG2 (0.81) ABCG2MAOAMAPTNPC1LMNA
SCHEMBL7189354 0.85 ABCG2 (0.57) ABCG2MAOAMAPTNPC1LMNA
SCHEMBL7182335 0.85 ABCG2 (0.57) ABCG2MAOAMAPTCYP1A2CYP2D6
SCHEMBL7182330 0.85 ABCG2 (0.57) ABCG2MAOAMAPTCYP1A2CYP2D6
SCHEMBL7189351 0.85 ABCG2 (0.57) ABCG2MAOAMAPTNPC1LMNA
SCHEMBL7100874 0.84 MAPT (0.76) ABCG2MAPTCYP1A2CYP2D6CYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003097577-A1 CHEMICAL COMPOUND CONSISTING OF A NITROGENOUS CHALCONE DERIVATIVE, METHOD OF PRODUCING ONE SUCH CHEMICAL COMPOUND AND FILTERING AND/OR COSMETIC COMPOSITION CONTAINING SAME SYNTH'E163 (SOCIETE ANONYME) (FR) 2003-11-27 WO claimed
WO-2003097577-A1 CHEMICAL COMPOUND CONSISTING OF A NITROGENOUS CHALCONE DERIVATIVE, METHOD OF PRODUCING ONE SUCH CHEMICAL COMPOUND AND FILTERING AND/OR COSMETIC COMPOSITION CONTAINING SAME SYNTH'E163 (SOCIETE ANONYME) (FR) 2003-11-27 WO 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