SCHEMBL9016901

SCHEMBL9016901

CCCCCCCCCCCCCCN(C)C.CCCCCCCCCCCCCCNCCC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 5/20 0.65
ALDH1A1 P00352 2/20 0.56
TSHR P16473 2/20 0.56
PAOX Q6QHF9 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
KDM4E B2RXH2 1/20 0.44
S1PR2 O95136 5/20 0.42
S1PR4 O95977 5/20 0.42
S1PR1 P21453 5/20 0.42
S1PR3 Q99500 5/20 0.42
S1PR5 Q9H228 1/20 0.42
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
EPHX1 P07099 1/20 0.41
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41
ADH4 P08319 1/20 0.41
ADH7 P40394 1/20 0.41
DNM2 P50570 2/20 0.41

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
SCHEMBL18871738 0.96 DNM1 (0.71) DNM1ALDH1A1TSHRPAOXTDP1
SCHEMBL18402526 0.96 DNM1 (0.71) DNM1ALDH1A1TSHRPAOXTDP1
SCHEMBL28199178 0.96 DNM1 (0.56) DNM1ALDH1A1TSHRPAOXTDP1
SCHEMBL3595414 0.93 TDP1 (0.54) DNM1ALDH1A1TSHRPAOXTDP1
SCHEMBL23430776 0.91 DNM1 (0.64) DNM1ALDH1A1TSHRPAOXTDP1
SCHEMBL4394698 0.91 DNM1 (0.64) DNM1ALDH1A1TSHRPAOXTDP1
SCHEMBL7736675 0.91 DNM1 (0.64) DNM1ALDH1A1TSHRPAOXTDP1
SCHEMBL20590750 0.91 DNM1 (0.64) DNM1ALDH1A1TSHRPAOXTDP1
SCHEMBL21436342 0.91 DNM1 (0.64) DNM1ALDH1A1TSHRPAOXTDP1
SCHEMBL3321464 0.91 DNM1 (0.64) DNM1ALDH1A1TSHRPAOXTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0748371-A1 GRANULAR DETERGENT COMPOSITION CONTAINING HYDROTROPES THE PROCTER & GAMBLE COMPANY (US) 1996-12-18 EP disclosed
WO-1995023205-A1 GRANULAR DETERGENT COMPOSITION CONTAINING HYDROTROPES THE PROCTER & GAMBLE COMPANY (US) 1995-08-31 WO disclosed