SCHEMBL28412975

SCHEMBL28412975

C=C(C)c1c(Br)cccc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA12 O43570 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
TP53 P04637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA4 P22748 1/20 0.39
LY96 Q9Y6Y9 1/20 0.38
TLR2 O60603 1/20 0.38

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
SCHEMBL24204652 0.86 CA1 (0.56) CA1CA2CA12CA7CA9
SCHEMBL31582796 0.81 ALDH1A1 (0.36) CA1CA2CA12CA7CA9
SCHEMBL30676336 0.81 CA9 (0.57) CA1CA2CA12CA7CA9
SCHEMBL25707113 0.81 CA9 (0.57) CA1CA2CA12CA7CA9
SCHEMBL29970479 0.78 TP53 (0.57) CA1CA2CA12CA7CA9
SCHEMBL23409954 0.78 TP53 (0.57) CA1CA2CA12CA7CA9
SCHEMBL1717361 0.77 CA12 (0.74) CA1CA2CA12CA7CA9
SCHEMBL16239034 0.76 CA12 (0.55) CA1CA2CA12CA7CA9
SCHEMBL28412973 0.76 CA1 (0.46) CA1CA2CA12CA7CA9
SCHEMBL16008472 0.76 CA12 (0.55) CA1CA2CA12CA7CA9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025106644-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ALPHA-V BETA-1 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2025-05-22 WO disclosed
CN-111171068-B Preparation method of silicon spiro-compound 中国科学院上海有机化学研究所 2021-12-14 CN disclosed
CN-111171068-A Preparation method of silicon spiro-compound 中国科学院上海有机化学研究所 2020-05-19 CN disclosed