SCHEMBL7939832

SCHEMBL7939832

CCCc1cc2oc1cc2CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 2/20 0.40
ALDH1A1 P00352 10/20 0.39
TSHR P16473 3/20 0.39
ALDH1A2 O94788 2/20 0.39
ALDH2 P05091 2/20 0.39
ALDH1B1 P30837 2/20 0.39
ALDH1A3 P47895 2/20 0.39
HTT P42858 2/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 7/20 0.37
HPGD P15428 5/20 0.37
HSD17B10 Q99714 4/20 0.37
POLB P06746 1/20 0.37
HMGCR P04035 1/20 0.36
HCAR2 Q8TDS4 2/20 0.36
FFAR3 O14843 1/20 0.34
PTPN1 P18031 1/20 0.33
PTPN11 Q06124 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 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
SCHEMBL6276074 0.93 HMGCR (0.40) HSD17B3ALDH1A1TSHRALDH1A2ALDH2
SCHEMBL167880 0.87 HSD17B3 (0.36) HSD17B3ALDH1A1TSHRHTTMAPT
SCHEMBL9581030 0.74 ALOX5 (0.46) ALDH1A1TSHRHTTMAPTKDM4E
SCHEMBL29368171 0.73 ALDH1A1 (0.35) HSD17B3ALDH1A1TSHRALDH1A2ALDH2
SCHEMBL156024 0.73 ALDH1A1 (0.35) HSD17B3ALDH1A1TSHRALDH1A2ALDH2
SCHEMBL22250960 0.71 MCL1 (0.44) ALDH1A1TSHRMAPTKDM4EHPGD
SCHEMBL11792898 0.71 GRIN2D (0.40) HSD17B3ALDH1A1TSHRALDH1A2ALDH2
SCHEMBL22011795 0.70 ALDH1A1 (0.38) HSD17B3ALDH1A1TSHRALDH1A2ALDH2
SCHEMBL157308 0.68 ESR1 (0.37) HSD17B3ALDH1A1TSHRALDH1A2ALDH2
SCHEMBL8470589 0.68 HSD17B3 (0.38) HSD17B3ALDH1A1TSHRALDH1A2ALDH2

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-0942947-B1 FLAME-RESISTANT THERMOPLASTIC MOULDING COMPOUNDS BASED ON POLYARYLENE ETHERS BASF AG (DE) 2001-04-04 EP disclosed