SCHEMBL7172181

SCHEMBL7172181

CC(OCc1ccccc1)Oc1ccc(C=C(C=Cc2ccccc2)C=Cc2ccc(O)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.46
AKR1B10 O60218 2/20 0.45
AKR1B1 P15121 2/20 0.45
CA12 O43570 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
BACE1 P56817 6/20 0.45
GSK3B P49841 3/20 0.45
CYP1A1 P04798 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP19A1 P11511 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MMP1 P03956 1/20 0.41

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
SCHEMBL3842067 0.89 LTB4R (0.41) ABCG2AKR1B10AKR1B1CA12CA4
SCHEMBL7199294 0.89 LTB4R (0.41) ABCG2AKR1B10AKR1B1CA12CA4
SCHEMBL6866016 0.88 CA12 (0.41) ABCG2AKR1B10AKR1B1CA12CA4
SCHEMBL6276080 0.87 ABCG2 (0.42) ABCG2AKR1B10AKR1B1CA12CA7
SCHEMBL6839679 0.86 LTB4R (0.37) ABCG2AKR1B10AKR1B1CA12CA4
SCHEMBL5145553 0.85 CYP1A2 (0.50) ABCG2AKR1B10AKR1B1CA12CA4
SCHEMBL8735872 0.81 AKR1B10 (0.42) ABCG2AKR1B10AKR1B1CA12CA4
SCHEMBL3838358 0.80 CA12 (0.43) ABCG2AKR1B10AKR1B1CA12CA7
SCHEMBL6280731 0.79 RELA (0.41) ABCG2CA12CA7CA9CA14
SCHEMBL7138148 0.79 MAOB (0.42) ABCG2AKR1B10AKR1B1CA12CA7

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
US-6537724-B1 Photoresist resins comprising a mixture of polymers which have different properties HYUNDAI ELECTRONICS INDUSTRIES CO., LTD. (KR) 2003-03-25 US claimed