SCHEMBL31436346

SCHEMBL31436346

COc1ccc(C(=O)C=Cc2ccc(F)cc2)c(OC)c1OC

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 4/20 0.76
MCL1 Q07820 4/20 0.71
CTSL P07711 2/20 0.66
CYP1A1 P04798 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP1B1 Q16678 1/20 0.62
CYP3A4 P08684 1/20 0.59
ABCG2 Q9UNQ0 5/20 0.58
ACHE P22303 1/20 0.58
BACE1 P56817 1/20 0.58
ALDH1A1 P00352 1/20 0.58
KRAS P01116 1/20 0.58
ATM Q13315 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
CAPN1 P07384 1/20 0.53
PARP1 P09874 1/20 0.53
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
MAPT P10636 1/20 0.53

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
SCHEMBL31436340 1.00 TUBB1 (0.76) TUBB1MCL1CTSLCYP1A1CYP1A2
SCHEMBL10824465 0.87 TUBB1 (0.76) TUBB1MCL1CTSLCYP1A1CYP1A2
SCHEMBL15304531 0.87 TUBB1 (0.71) TUBB1MCL1CYP1A1CYP1A2CYP1B1
SCHEMBL10824463 0.87 TUBB1 (0.76) TUBB1MCL1CTSLCYP1A1CYP1A2
SCHEMBL31436392 0.86 TUBB1 (0.70) TUBB1MCL1CYP1A1CYP1A2CYP1B1
SCHEMBL19182769 0.86 TUBB1 (0.70) TUBB1MCL1CYP1A1CYP1A2CYP1B1
SCHEMBL19182770 0.86 TUBB1 (0.70) TUBB1MCL1CYP1A1CYP1A2CYP1B1
SCHEMBL31436360 0.86 TUBB1 (0.70) TUBB1MCL1CYP1A1CYP1A2CYP1B1
SCHEMBL14315253 0.86 CYP1A1 (0.72) TUBB1MCL1CYP1A1CYP1A2CYP1B1
SCHEMBL1882355 0.86 CYP1A1 (0.72) TUBB1MCL1CYP1A1CYP1A2CYP1B1

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
CN-119677514-A Estrogenic compounds and methods of use 益特瑞恩公司 2025-03-21 CN disclosed