SCHEMBL9522178

SCHEMBL9522178

CCN(CC)CCSCC([O])=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
CHRM1 P11229 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM3 P20309 1/20 0.37
ALDH1A1 P00352 3/20 0.32
CES2 O00748 1/20 0.32
HPGD P15428 1/20 0.32
GMNN O75496 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
THRB P10828 1/20 0.32
CYP2C9 P11712 1/20 0.32
BLM P54132 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP3A4 P08684 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL890300 0.83 MAPT (0.50) MAPTCHRM1CHRM2CHRM4CHRM3
SCHEMBL13461104 0.83 CES2 (0.50) MAPTCHRM1CHRM2CHRM4CHRM3
SCHEMBL29193673 0.78 KDM1A (0.35) MAPTCHRM1CHRM2CHRM4CHRM3
SCHEMBL679006 0.78 CES1 (0.39) MAPTCHRM1CHRM2CHRM4CHRM3
SCHEMBL9525474 0.77 HTR1A (0.36) MAPTCHRM1CHRM2CHRM4CHRM3
SCHEMBL7985448 0.76 MAPT (0.40) MAPTCHRM1CHRM2CHRM4CHRM3
SCHEMBL950901 0.75 SLC2A1 (0.37) MAPTCHRM1CHRM2CHRM4CHRM3
SCHEMBL12352711 0.71 SMN1; SMN2 (0.55) MAPTCHRM1CHRM2CHRM4CHRM3
SCHEMBL20079573 0.71 MAPT (0.35) MAPTCHRM1CHRM2CHRM4CHRM3
SCHEMBL5002428 0.71 MEN1 (0.34) MAPTCHRM1CHRM2CHRM4CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0226896-B1 LANKACIDIN DERIVATIVES AND PRODUCTION THEREOF Takeda Chemical Industries, Ltd. (JP) 1993-09-15 EP disclosed
CN-1021910-C LANKACIDIN DERIVATIVES AND PRODUCTION THEREOF TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-08-25 CN disclosed
US-4914206-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-03 US disclosed
CN-86108176-A Lankacidin derivatives and process for producing the same 1987-10-21 CN disclosed
EP-0226896-A2 Lankacidin derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-07-01 EP disclosed