SCHEMBL9113264

SCHEMBL9113264

COc1ccc(C(=O)C=Cc2cc(OC(C)C)cc(OC(C)C)c2C(C)(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 3/20 0.56
ABCG2 Q9UNQ0 2/20 0.54
GABRA3 P34903 1/20 0.53
GABRA2 P47869 1/20 0.53
GABRB2 P47870 1/20 0.53
MAOB P27338 2/20 0.50
F3 P13726 1/20 0.50
PTPN1 P18031 3/20 0.49
MAPT P10636 4/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP1B1 Q16678 2/20 0.49
CYP1A1 P04798 1/20 0.49
HPGD P15428 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 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
SCHEMBL9112035 0.90 CAPN1 (0.48) ABCG2GABRA3GABRA2GABRB2MAOB
SCHEMBL9112594 0.88 MAOB (0.50) ABCG2MAOBMAPTLMNASMN1; SMN2
SCHEMBL9114634 0.87 TNFRSF1A (0.62) TNFRSF1AABCG2GABRA3GABRA2GABRB2
SCHEMBL9112511 0.86 CYP1A1 (0.52) ABCG2MAOBPTPN1CYP1B1CYP1A1
SCHEMBL9112516 0.86 TNFRSF1A (0.67) TNFRSF1AABCG2GABRA3GABRA2GABRB2
SCHEMBL9115825 0.86 PTPN1 (0.50) TNFRSF1AABCG2PTPN1CYP1B1CYP1A1
SCHEMBL9114646 0.85 KRAS (0.62) TNFRSF1AABCG2MAOBF3MAPT
SCHEMBL9112769 0.85 TNFRSF1A (0.73) TNFRSF1AABCG2GABRA3GABRA2GABRB2
SCHEMBL7192107 0.85 ABCG2 (0.71) TNFRSF1AABCG2GABRA3GABRA2GABRB2
SCHEMBL7192111 0.85 ABCG2 (0.71) TNFRSF1AABCG2GABRA3GABRA2GABRB2

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-1995006628-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-03-09 WO claimed