SCHEMBL18190232

SCHEMBL18190232

CCCCN(Cc1cccs1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
CHRM2 P08172 1/20 0.54
CHRM1 P11229 1/20 0.54
CHRM3 P20309 1/20 0.54
ALDH1A1 P00352 3/20 0.53
GAA P10253 1/20 0.53
TRPM8 Q7Z2W7 9/20 0.51
TSHR P16473 1/20 0.48
RIPK1 Q13546 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL6121888 0.89 POLB (0.62) POLBTDP1CHRM2CHRM1CHRM3
SCHEMBL6122705 0.87 CHRM2 (0.53) POLBTDP1CHRM2CHRM1CHRM3
SCHEMBL16762167 0.85 POLB (0.52) POLBTDP1CHRM2CHRM1CHRM3
SCHEMBL4080378 0.84 POLB (0.69) POLBTDP1ALDH1A1TRPM8TSHR
SCHEMBL20211082 0.82 RIPK1 (0.51) POLBTDP1CHRM2CHRM1CHRM3
SCHEMBL6121893 0.81 POLB (0.58) POLBTDP1CHRM2CHRM1CHRM3
SCHEMBL6121684 0.81 TRPM8 (0.62) POLBTDP1ALDH1A1TRPM8TSHR
SCHEMBL12810890 0.79 POLB (0.56) POLBTDP1ALDH1A1TRPM8TSHR
Hydrochloric Acid SCHEMBL6121793 0.79 TRPM8 (0.61) POLBTDP1ALDH1A1TRPM8TSHR
SCHEMBL6122454 0.79 RIPK1 (0.48) POLBTDP1CHRM2CHRM1CHRM3

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
EP-2640721-B1 AGONISTS THAT ENHANCE BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS TEXAS HEART INST (US) 2018-06-06 EP claimed
EP-2881393-B1 Agonists that enhance binding of integrin-expressing cells to integrin receptors TEXAS HEART INST (US) 2018-06-06 EP disclosed
EP-3288585-A2 NOVEL COMPOSITIONS AND METHODS FOR IMMUNOTHERAPIES COMPRISING SMALL MOLECULE INTEGRIN RECEPTOR-LIGAND AGONIST ADJUVANTS 7 HILLS INTERESTS, LLC (US) 2018-03-07 EP disclosed
WO-2016176400-A2 NOVEL COMPOSITIONS AND METHODS FOR IMMUNOTHERAPIES COMPRISING SMALL MOLECULE INTEGRIN RECEPTOR-LIGAND AGONIST ADJUVANTS 7 HILLS INTERESTS LLC (US) 2016-11-03 WO disclosed