SCHEMBL20096362

SCHEMBL20096362

CC(C)(C)CCC(=O)NCNC(=O)CCC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.40
RECQL P46063 1/20 0.37
SIGMAR1 Q99720 2/20 0.35
ALDH1A1 P00352 2/20 0.34
MLYCD O95822 1/20 0.34
HPGD P15428 1/20 0.32
GAA P10253 1/20 0.32
FAAH O00519 1/20 0.32
CASP2 P42575 1/20 0.31
DNM1 Q05193 1/20 0.31
TSHR P16473 1/20 0.30
NAALAD2 Q9Y3Q0 1/20 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
SCHEMBL20287927 0.91 CASP2 (0.44) CACNA1HALDH1A1HPGDFAAHCASP2
SCHEMBL17369102 0.87 CACNA1H (0.39) CACNA1HRECQLSIGMAR1ALDH1A1MLYCD
SCHEMBL10730053 0.85 ALDH1A1 (0.46) CACNA1HRECQLSIGMAR1ALDH1A1MLYCD
SCHEMBL21015969 0.83 CACNA1H (0.39) CACNA1HRECQLSIGMAR1ALDH1A1MLYCD
SCHEMBL9483993 0.83 FAAH (0.50) CACNA1HRECQLSIGMAR1ALDH1A1MLYCD
SCHEMBL17471845 0.83 SIGMAR1 (0.50) CACNA1HRECQLSIGMAR1ALDH1A1MLYCD
SCHEMBL11433061 0.83 RECQL (0.40) CACNA1HRECQLSIGMAR1ALDH1A1MLYCD
SCHEMBL16154442 0.79 KMT2A (0.46) SIGMAR1ALDH1A1HPGDGAAFAAH
SCHEMBL13407576 0.79 CNR1 (0.39) CACNA1HRECQLSIGMAR1ALDH1A1MLYCD
SCHEMBL17662438 0.79 FAAH (0.44) CACNA1HRECQLALDH1A1HPGDGAA

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
EP-3578588-A1 HIGH EFFICIENCY WET STRENGTH RESINS FROM NEW CROSS-LINKERS Ecolab USA Inc. (US) 2019-12-11 EP disclosed
US-9982395-B2 High efficiency wet strength resins from new cross-linkers ECOLAB USA INC. (US) 2018-05-29 US disclosed
US-20180112359-A1 BLENDS OF POLYMERS AS WET STRENGTHENING AGENTS FOR PAPER ECOLAB USA INC. (US) 2018-04-26 US disclosed