SCHEMBL19982047

SCHEMBL19982047

CCCCCC(CCC)CSC

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
OPRM1 P35372 1/20 0.39
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
DNM1 Q05193 2/20 0.35
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.34
FDPS P14324 4/20 0.33
THRB P10828 1/20 0.33
GPR84 Q9NQS5 2/20 0.32
SPHK1 Q9NYA1 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
SCHEMBL24688718 0.98 LMNA (0.50) LMNAOPRM1ALDH1A1TDP1DNM1
SCHEMBL22212724 0.92 ALDH1A1 (0.42) LMNAALDH1A1TDP1DNM1TSHR
SCHEMBL18978505 0.92 LMNA (0.54) LMNAOPRM1ALDH1A1TDP1DNM1
SCHEMBL25531477 0.87 ALDH1A1 (0.46) LMNAOPRM1ALDH1A1TDP1DNM1
SCHEMBL26386669 0.83 LMNA (0.50) LMNAOPRM1ALDH1A1TDP1DNM1
SCHEMBL6057262 0.81 ALDH1A1 (0.46) LMNAOPRM1ALDH1A1TDP1DNM1
SCHEMBL8679451 0.81 LMNA (0.57) LMNAOPRM1ALDH1A1TDP1DNM1
SCHEMBL4072853 0.81 LMNA (0.57) LMNAOPRM1ALDH1A1TDP1DNM1
SCHEMBL15729910 0.79 LMNA (0.46) LMNAOPRM1DNM1TSHRFDPS
SCHEMBL4309549 0.79 LMNA (0.50) LMNAOPRM1ALDH1A1TDP1DNM1

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-3145936-B1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF QPEX BIOPHARMA INC (US) 2020-09-30 EP disclosed
EP-3295933-A1 HYDROGELS BASED ON FUNCTIONALIZED POLYSACCHARIDES ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2018-03-21 EP disclosed