SCHEMBL11650412

SCHEMBL11650412

OCCCCCC(S)CS

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 2/20 0.46
NR1I2 O75469 1/20 0.46
CYP1A2 P05177 1/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.32
GSTK1 Q9Y2Q3 1/20 0.31
CPB2 Q96IY4 1/20 0.30

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
SCHEMBL11650649 1.00 LMNA (0.46) LMNAALDH1A1HSD17B10NR1I2CYP1A2
SCHEMBL11653036 0.97
SCHEMBL20271865 0.89
SCHEMBL3075615 0.89
1,6-Hexanediol SCHEMBL6685374 0.86 LMNA (0.53) LMNAALDH1A1HSD17B10NR1I2CYP1A2
SCHEMBL5168573 0.86 NR1I2 (0.42) LMNAALDH1A1HSD17B10NR1I2CYP1A2
SCHEMBL5169986 0.86 NR1I2 (0.42) LMNAALDH1A1HSD17B10NR1I2CYP1A2
SCHEMBL5169075 0.83 NR1I2 (0.44) LMNAALDH1A1HSD17B10NR1I2CYP1A2
SCHEMBL24071271 0.82 LMNA (0.32) LMNAALDH1A1HSD17B10NR1I2CYP1A2
SCHEMBL24071237 0.82 LMNA (0.32) LMNAALDH1A1HSD17B10NR1I2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE29558-E Lincomycin analogs THE UPJOHN COMPANY (US) 1978-02-28 US disclosed