SCHEMBL18757012

SCHEMBL18757012

OC1CCCC(CC2CCC(C3CCC(O)CC3)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
ESR2 Q92731 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
SCHEMBL12325182 0.93 TSHR (0.47) TSHRESR2
SCHEMBL9815644 0.90 TSHR (0.35) TSHR
SCHEMBL805175 0.84 TSHR (0.39) TSHRESR2
SCHEMBL22875519 0.82 TSHR (0.47) TSHR
SCHEMBL151744 0.82 TSHR (0.41) TSHR
SCHEMBL9815822 0.82 TSHR (0.41) TSHR
SCHEMBL23482532 0.77
SCHEMBL300395 0.76
SCHEMBL6773661 0.75 TSHR (0.45) TSHRESR2
SCHEMBL22137403 0.74 ALDH1A1 (0.47)

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-2278405-B1 Methods of making a photoreceptor outer layer XEROX CORP (US) 2017-04-19 EP disclosed