SCHEMBL28758545

SCHEMBL28758545

C=CC(=O)OC(CCCCCCCC)CC(CCC)CCCCC.O=C(O)C1CCCCC1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
HCAR2 Q8TDS4 1/20 0.32
HPGD P15428 1/20 0.31
NAAA Q02083 2/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
PDCD4 Q53EL6 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
SCHEMBL27646434 0.97 TSHR (0.38) TSHRHPGD
SCHEMBL27626091 0.89 TSHR (0.36) TSHRHCAR2HPGDALDH1A1
SCHEMBL28758552 0.89 TSHR (0.39) TSHRHCAR2HPGDALDH1A1PDCD4
SCHEMBL27626082 0.88 TSHR (0.46) TSHRHPGD
SCHEMBL27646470 0.87 CTSK (0.36) TSHRHPGDKMT2A
SCHEMBL27646491 0.87 TSHR (0.38) TSHRHCAR2HPGDNAAA
SCHEMBL27646448 0.87
SCHEMBL27626034 0.86 TSHR (0.36) TSHRHPGD
SCHEMBL27646688 0.85 CNR1 (0.32) NAAAALDH1A1KMT2APDCD4
SCHEMBL27646302 0.84 TSHR (0.47) TSHRHPGD

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
CN-1784203-A Cosmetic composition containing cyclohexane polycarboxylic acid derivative BASF AG (DE) 2006-06-07 CN disclosed