SCHEMBL20590751

SCHEMBL20590751

CCCCCCCCCCCCCCN(CCCCCCCCCCCC)C(CC)N(C)C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 5/20 0.48
TSHR P16473 2/20 0.36
THRB P10828 1/20 0.36
GGPS1 O95749 3/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
S1PR2 O95136 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
S1PR5 Q9H228 1/20 0.34
GBA1 P04062 1/20 0.32
PLA2G1B P04054 1/20 0.32
PLA2G2A P14555 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
Hydrochloric Acid SCHEMBL29286816 0.98 DNM1 (0.50) DNM1TSHRTHRBGGPS1CA12
SCHEMBL6533876 0.89 EPHX2 (0.43) DNM1
SCHEMBL6532061 0.89 EPHX2 (0.43) DNM1
Hydrochloric Acid SCHEMBL10492556 0.83 DNM1 (0.48) DNM1TSHRTHRBGGPS1S1PR2
SCHEMBL22573994 0.80 FDPS (0.36)
SCHEMBL9777544 0.80 SMN1; SMN2 (0.35) TSHRALDH1A1
SCHEMBL190294 0.78 LMNA (0.42) DNM1TSHRGGPS1CA12CA1
SCHEMBL1038114 0.78 LMNA (0.42) DNM1TSHRGGPS1CA12CA1
SCHEMBL268149 0.78 DNM1 (0.39) DNM1TSHRTHRBGGPS1CA12
SCHEMBL10380685 0.77 DNM1 (0.42) DNM1TSHRTHRBGGPS1CA12

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-2513282-B1 FOAMING LIGHT DUTY LIQUID DETERGENT COMPOSITIONS, METHODS OF MAKING AND USES THEREOF STEPAN CO (US) 2019-07-10 EP claimed
EP-3183331-B1 COMPOSITION FOR DETERGENT FOR CLEANING INNOSPEC PERFORMANCE CHEMICALS EUROPE LTD (GB) 2018-12-26 EP claimed