SCHEMBL5085574

SCHEMBL5085574

CCc1ccc(C(=O)/C=C/c2c(OC)cccc2OC)cc1

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 4/20 0.80
▸ MAOA P21397 2/20 0.56
▸ CYP1A2 P05177 3/20 0.53
▸ CYP2D6 P10635 2/20 0.53
▸ CYP1A1 P04798 1/20 0.53
▸ MAOB P27338 4/20 0.52
▸ LMNA P02545 3/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ BCHE P06276 1/20 0.51
▸ RAB9A P51151 1/20 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

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
SCHEMBL7185751 0.84 ABCG2 (0.88) ABCG2MAOACYP1A2CYP2D6CYP1A1
SCHEMBL7185747 0.84 ABCG2 (0.88) ABCG2MAOACYP1A2CYP2D6CYP1A1
SCHEMBL979720 0.83 ABCG2 (0.87) ABCG2MAOACYP1A2CYP2D6CYP1A1
SCHEMBL979719 0.83 ABCG2 (0.87) ABCG2MAOACYP1A2CYP2D6CYP1A1
SCHEMBL9338183 0.83 ABCG2 (0.54) ABCG2MAOACYP1A2CYP2D6CYP1A1
SCHEMBL7192430 0.82 ABCG2 (0.85) ABCG2MAOACYP1A2CYP2D6CYP1A1
SCHEMBL7101379 0.82 ABCG2 (0.85) ABCG2MAOACYP1A2CYP2D6CYP1A1
SCHEMBL9338192 0.82 ABCG2 (0.74) ABCG2MAOACYP1A2CYP2D6CYP1A1
SCHEMBL9338182 0.82 ABCG2 (0.74) ABCG2MAOACYP1A2CYP2D6CYP1A1
SCHEMBL7198506 0.81 ABCG2 (0.72) ABCG2MAOAMAOBLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008018692-A1 NOVEL CHALCONE DERIVATIVES WHICH INHIBIT THE IL-5 ACTIVITY THE INDUSTRY AND ACADEMIC COOPERATION IN CHUNGNAM NATIONAL UNIVERSITY (IAC) (KR) 2008-02-14 — — WO disclosed
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