SCHEMBL9761933

SCHEMBL9761933

CCCCCCCCCCC1(CCCCCCCCCC)CCCC1(CCCCCCCC)CCCCCCCC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
THRB P10828 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.37
DNM1 Q05193 4/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL5344705 1.00 TSHR (0.42) TSHRTHRBSIRT2DNM1OPRM1
SCHEMBL5349789 1.00 TSHR (0.42) TSHRTHRBSIRT2DNM1OPRM1
SCHEMBL9763110 1.00 TSHR (0.42) TSHRTHRBSIRT2DNM1OPRM1
SCHEMBL5339781 1.00 TSHR (0.42) TSHRTHRBSIRT2DNM1OPRM1
SCHEMBL2429379 1.00 TSHR (0.42) TSHRTHRBSIRT2DNM1OPRM1
SCHEMBL5340532 1.00 TSHR (0.42) TSHRTHRBSIRT2DNM1OPRM1
SCHEMBL9763148 1.00 TSHR (0.42) TSHRTHRBSIRT2DNM1OPRM1
SCHEMBL5337289 1.00 TSHR (0.42) TSHRTHRBSIRT2DNM1OPRM1
SCHEMBL28463335 0.95 TSHR (0.42) TSHRTHRBSIRT2DNM1OPRM1
SCHEMBL27932076 0.80 TSHR (0.33) TSHRTHRBSIRT2

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
EP-0282579-B1 CYCLOPENTANES AND LUBRICANTS COMPRISING CYCLOPENTANES PENNZOIL PRODUCTS COMPANY (US) 1991-11-27 EP claimed