SCHEMBL6699498

SCHEMBL6699498

CCCCCCCCSCc1cc(C)c(O)c(CSCCCCCCCC)c1C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.39
ESR1 P03372 5/20 0.35
SOAT2 O75908 1/20 0.35
ACAT1 P24752 1/20 0.35
SOAT1 P35610 1/20 0.35
ESR2 Q92731 3/20 0.34
ALOX5 P09917 5/20 0.33
CES2 O00748 1/20 0.33
GMNN O75496 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
CYP2C9 P11712 1/20 0.33
BLM P54132 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL9576130 1.00 TYR (0.39) TYRESR1SOAT2ACAT1SOAT1
SCHEMBL6692751 0.83 CYP2C9 (0.41) TYRESR1ESR2GMNNTP53
SCHEMBL6699636 0.83 CYP2C9 (0.41) TYRESR1ESR2GMNNTP53
SCHEMBL28108864 0.81 TYR (0.41) TYRALOX5TP53MAPT
SCHEMBL28069446 0.81 TYR (0.40) TYRESR1ESR2ALOX5CES2
SCHEMBL30128148 0.81 TYR (0.40) TYRESR1ESR2ALOX5CES2
SCHEMBL1985774 0.81 TYR (0.40) TYRESR1ESR2ALOX5CES2
SCHEMBL1274832 0.79 ESR1 (0.49) ESR1CYP2C9
SCHEMBL23908725 0.78 TYR (0.46) TYRESR1ESR2ALOX5CES2
SCHEMBL14998827 0.78 SHBG (0.40) TYRESR1SOAT2ACAT1SOAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092649-A1 Method for producing stable, colorless butadiene rubbers BAYER AKTIENGESELLSCHAFT (DE) 2004-05-13 US disclosed
EP-1297020-A1 METHOD FOR PRODUCING STABLE, COLORLESS BUTADIENE RUBBERS Bayer Aktiengesellschaft (DE) 2003-04-02 EP disclosed
WO-2001094422-A1 METHOD FOR PRODUCING STABLE, COLORLESS BUTADIENE RUBBERS BAYER AKTIENGESELLSCHAFT (DE) 2001-12-13 WO disclosed
EP-0461072-B1 Process for the preparation of polyurethanes using specific stabilizer systems CIBA GEIGY AG (CH) 1998-07-29 EP disclosed
US-5077321-A Using two structurally different stabilizers CIBA-GEIGY CORPORATION (US) 1991-12-31 US disclosed
EP-0461072-A2 Process for the preparation of polyurethanes using specific stabilizer systems CIBA-GEIGY AG (CH) 1991-12-11 EP disclosed
EP-0428973-A1 Mixtures of stabilisers for elastomers CIBA-GEIGY AG (CH) 1991-05-29 EP disclosed