SCHEMBL4235702

SCHEMBL4235702

CCC[S+](CCC)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
CALM1 P0DP23 1/20 0.38
TSHR P16473 4/20 0.36
ALDH1A1 P00352 3/20 0.36
SIGMAR1 Q99720 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
IDO1 P14902 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
TRPA1 O75762 1/20 0.35
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
DNM1 Q05193 1/20 0.34

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
SCHEMBL4237394 0.86 TP53 (0.42) TP53SIGMAR1SMN1; SMN2DNM1
Hydrochloric Acid SCHEMBL8730207 0.85 TP53 (0.42) TP53SIGMAR1SMN1; SMN2TDP1DNM1
SCHEMBL8757335 0.83 DNM1 (0.46) TP53SIGMAR1SMN1; SMN2DNM1
SCHEMBL9120855 0.82 TP53 (0.42) TP53SIGMAR1SMN1; SMN2DNM1
Bromide SCHEMBL8756273 0.81 DNM1 (0.47) TP53SIGMAR1SMN1; SMN2DNM1
SCHEMBL8973723 0.80 TP53 (0.50) TP53CALM1TSHRALDH1A1SIGMAR1
SCHEMBL396269 0.80 TP53 (0.50) TP53CALM1TSHRALDH1A1SIGMAR1
Water SCHEMBL9247303 0.80 DNM1 (0.43) TP53SIGMAR1SMN1; SMN2DNM1
Hydrochloric Acid SCHEMBL9343453 0.80 MEN1 (0.46) TP53SIGMAR1SMN1; SMN2DNM1
SCHEMBL395841 0.79 TP53 (0.44) TP53CALM1TSHRALDH1A1SIGMAR1

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
WO-2009040107-A2 METHOD FOR THE PRODUCTION OF METAL-CONTAINING NANOPARTICLES ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2009-04-02 WO disclosed
US-3966720-A Process for producing desacetoxy cephalosporanic acid compound NIKKEN CHEMICALS CO., LTD. (JA) 1976-06-29 US disclosed