SCHEMBL8977977

SCHEMBL8977977

CCCCCCCCCCC(S)CN

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.44
DNM1 Q05193 8/20 0.43
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
EPHX1 P07099 1/20 0.43
SPHK1 Q9NYA1 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 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
SCHEMBL20693661 1.00 OPRM1 (0.44) OPRM1DNM1ALDH1A1TSHRMEN1
SCHEMBL11835112 1.00 OPRM1 (0.44) OPRM1DNM1ALDH1A1TSHRMEN1
Hydrochloric Acid SCHEMBL1934557 0.98 DNM1 (0.46) OPRM1DNM1ALDH1A1TSHRMEN1
SCHEMBL2922692 0.90
SCHEMBL10771326 0.84 TSHR (0.50) OPRM1DNM1TSHRSPHK1LMNA
SCHEMBL5903021 0.84 TSHR (0.50) OPRM1DNM1TSHRSPHK1LMNA
SCHEMBL10775752 0.84 TSHR (0.50) OPRM1DNM1TSHRSPHK1LMNA
SCHEMBL10774657 0.84 TSHR (0.50) OPRM1DNM1TSHRSPHK1LMNA
SCHEMBL9543091 0.84 TSHR (0.50) OPRM1DNM1TSHRSPHK1LMNA
SCHEMBL10773668 0.84 TSHR (0.50) OPRM1DNM1TSHRSPHK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1069162-C Compositions of fluorescent biocides for use as improved antimicrobials NALCO CHEMICAL CO (US) 2001-08-08 CN disclosed
US-5500220-A FOAM, ACROLEIN BETZ LABORATORIES, INC. (US) 1996-03-19 US disclosed
CN-1113104-A Compositions of fluorescent biocides for use as improved antimicrobials NALCO CHEMICAL CO (US) 1995-12-13 CN disclosed
US-5256419-A Biological & dust control methods for bulk/granular solids BETZ LABORATORIES, INC. (US) 1993-10-26 US disclosed