SCHEMBL28640571

SCHEMBL28640571

Brc1cccc(C=C2c3ccccc3-c3ccccc32)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TUBB4A P04350 1/20 0.50
TUBB P07437 1/20 0.50
TUBA3C P0DPH7 1/20 0.50
AR P10275 1/20 0.50
TUBA1B P68363 1/20 0.50
TUBA4A P68366 1/20 0.50
TUBB4B P68371 1/20 0.50
TUBB3 Q13509 1/20 0.50
TUBB2A Q13885 1/20 0.50
TUBB8 Q3ZCM7 1/20 0.50
TUBA3E Q6PEY2 1/20 0.50
TUBA1A Q71U36 1/20 0.50
TUBA1C Q9BQE3 1/20 0.50
TUBB6 Q9BUF5 1/20 0.50
TUBB2B Q9BVA1 1/20 0.50
TUBB1 Q9H4B7 1/20 0.50
HSD11B1 P28845 1/20 0.49
CYP19A1 P11511 2/20 0.47
CYP11B2 P19099 2/20 0.47

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
SCHEMBL4042552 0.84 AR (0.55) ALDH1A1TUBB4ATUBBTUBA3CAR
SCHEMBL19036868 0.83 CYP19A1 (0.50) TUBB4ATUBBTUBA3CARTUBA1B
SCHEMBL29007600 0.83 LCK (0.58) ALDH1A1TUBB4ATUBBTUBA3CAR
SCHEMBL30380912 0.83 LCK (0.58) ALDH1A1TUBB4ATUBBTUBA3CAR
SCHEMBL9177137 0.81 CYP19A1 (0.48) TUBB4ATUBBTUBA3CARTUBA1B
SCHEMBL9177130 0.81 CYP19A1 (0.48) TUBB4ATUBBTUBA3CARTUBA1B
SCHEMBL17199715 0.80 S100A4 (0.43) ALDH1A1TUBB4ATUBBTUBA3CAR
SCHEMBL14077393 0.79 CYP2A6 (0.50) ALDH1A1TUBB4ATUBBTUBA3CAR
SCHEMBL19784873 0.77 CYP19A1 (0.57) TUBB4ATUBBTUBA3CARTUBA1B
SCHEMBL30428503 0.77 TOP1 (0.58) ALDH1A1TUBB4ATUBBTUBA3CAR

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-113480394-A Green synthesis method of alkylene fluorene 温州大学 2021-10-08 CN disclosed