SCHEMBL8958119

SCHEMBL8958119

CC(C)(COCC(O)CCl)COCC(O)CCl

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.38
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 1/20 0.33
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 2/20 0.30

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
SCHEMBL6131203 0.81 CA1 (0.36) ARCA1CA2CA9
SCHEMBL17014615 0.79 USP2 (0.45) ARTSHRALDH1A1KDM4EMAPK1
SCHEMBL13108270 0.79 KDM4E (0.37) TSHRKDM4EMAPK1
SCHEMBL18578829 0.77 HTT (0.37) ARCA1CA2CA9
SCHEMBL16854501 0.77 HTT (0.37) ARCA1CA2CA9
SCHEMBL202567 0.77 CA1 (0.45) ARCA1CA2CA9TSHR
SCHEMBL26708182 0.77 AR (0.35) ARCA1CA2CA9
SCHEMBL19951506 0.75 CA1 (0.43) ARCA1CA2CA9TSHR
SCHEMBL811510 0.75 CA1 (0.43) ARCA1CA2CA9TSHR
SCHEMBL14667420 0.74 KDM4E (0.33) TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641402-B1 CONTINUOUS DYEING OF CELLULOSE-CONTAINING TEXTILES BASF AG (DE) 1996-09-11 EP disclosed
US-5484457-A Continuous production of surface dyeings on cellulose fiber textile materials BASF AKTIENGESELLSCHAFT (DE) 1996-01-16 US disclosed
EP-0358087-B1 Quaternized condensation products BASF AG (DE) 1995-07-12 EP disclosed
WO-1993023605-A1 CONTINUOUS DYEING OF CELLULOSE-CONTAINING TEXTILES BASF AKTIENGESELLSCHAFT (DE) 1993-11-25 WO disclosed
EP-0358087-A2 Quaternized condensation products BASF Aktiengesellschaft (DE) 1990-03-14 EP disclosed