SCHEMBL30003058

SCHEMBL30003058

Cc1cc(C(C)(C)c2ccc(OC#N)c(C)c2)ccc1OC#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.44
KDM4E B2RXH2 4/20 0.37
VDR P11473 4/20 0.34
ESR2 Q92731 2/20 0.33
RECQL P46063 1/20 0.32
HSD17B10 Q99714 2/20 0.32
CASP1 P29466 1/20 0.32
KLF10 Q13118 1/20 0.32
MRGPRX4 Q96LA9 2/20 0.32
AR P10275 3/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
HTR6 P50406 1/20 0.31
ESRRG P62508 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CYP19A1 P11511 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL3418379 1.00 ESR1 (0.44) ESR1KDM4EVDRESR2RECQL
SCHEMBL29664065 1.00 ESR1 (0.44) ESR1KDM4EVDRESR2RECQL
SCHEMBL3416065 0.81 ESR1 (0.33) ESR1ESR2HSD17B10CASP1KLF10
SCHEMBL8961762 0.81 ESR1 (0.33) ESR1ESR2HSD17B10CASP1KLF10
SCHEMBL29664139 0.79 RORC (0.39) ESR1ESR2ARL3MBTL1
SCHEMBL3421381 0.79 RORC (0.39) ESR1ESR2ARL3MBTL1
SCHEMBL8985167 0.78 GAA (0.44) HSD17B10ARCYP3A4HPGDTSHR
SCHEMBL29489134 0.78 GAA (0.44) HSD17B10ARCYP3A4HPGDTSHR
SCHEMBL11033634 0.78 ALDH1A1 (0.38) KDM4EMRGPRX4ARCYP3A4HPGD
SCHEMBL8961984 0.76 PTGDR2 (0.40) ESR1KDM4EESR2ARCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4698582-A1 CURABLE ORGANOSILOXANE-MODIFIED REACTION RESINS Wacker Chemie AG (DE) 2026-02-25 EP disclosed
WO-2025031588-A1 CURABLE ORGANOSILOXANE-MODIFIED REACTION RESINS WACKER CHEMIE AG (DE) 2025-02-13 WO disclosed
WO-2024217692-A1 CURABLE ORGANOSILOXANE-MODIFIED REACTION RESINS WACKER CHEMIE AG (DE) 2024-10-24 WO disclosed
WO-2024213237-A1 CURABLE ORGANOSILOXANE-MODIFIED REACTION RESINS WACKER CHEMIE AG (DE) 2024-10-17 WO disclosed
EP-4347702-A1 CROSS-LINKABLE ORGANOSILOXANE-MODIFIED REACTION RESINS Wacker Chemie AG (DE) 2024-04-10 EP disclosed
CN-115698139-A Crosslinkable organosiloxane-modified reaction resins 瓦克化学股份公司 2023-02-03 CN disclosed
WO-2022253413-A1 CROSS-LINKABLE ORGANOSILOXANE-MODIFIED REACTION RESINS WACKER CHEMIE AG (DE) 2022-12-08 WO disclosed