SCHEMBL9732147

SCHEMBL9732147

C[C@H]1CCC(c2ccc(O)cc2)C(=O)O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 8/20 0.42
ALOX12 P18054 1/20 0.39
ESR1 P03372 2/20 0.38
MAPT P10636 2/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
YES1 P07947 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
CYP19A1 P11511 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36
TUBB6 Q9BUF5 1/20 0.36
TUBB2B Q9BVA1 1/20 0.36

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
SCHEMBL980741 0.84 CYP19A1 (0.40) MAPTCYP19A1ALDH1A1GLAHPGD
SCHEMBL3432798 0.83 CYP19A1 (0.39) MAPTCYP19A1CYP3A4ALDH1A1MEN1
SCHEMBL577125 0.82 DDB1 (0.40) CYP19A1KMT2ACA1CA9
SCHEMBL12951798 0.80 DDB1 (0.48) ALOX12MAPTCYP19A1NPC1CYP3A4
SCHEMBL9777658 0.77 ESR2 (0.41) ESR2ALOX12ESR1MAPTTUBB4A
SCHEMBL6461863 0.73 ALOX12 (0.45) ESR2ALOX12ESR1MAPTTUBB4A
SCHEMBL576708 0.68 MAPT (0.46) MAPTCYP19A1CYP3A4ALDH1A1GLA
SCHEMBL28388538 0.68 DDB1 (0.46) MAPTNPC1RAB9AALDH1A1HPGD
SCHEMBL13885029 0.67 ESR2 (0.51) ESR2ESR1MAPTNPC1CYP3A4
SCHEMBL28873760 0.67 ALOX5 (0.48) MAPTCYP19A1NPC1CYP3A4MAPK1

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-5149462-A Used as ferroelectric liquid crystal MITSUBISHI RAYON COMPANY LTD. (JP) 1992-09-22 US disclosed