SCHEMBL10491803

SCHEMBL10491803

CC(c1ccccc1)c1c2ccccc2c(C(C)c2ccccc2)c2cc3ccccc3cc12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ VKORC1 Q9BQB6 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ UGT2B7 P16662 1/20 0.38
▸ TYR P14679 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ CYP1B1 Q16678 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ NQO1 P15559 1/20 0.36
▸ DAO P14920 1/20 0.36
▸ AKR1B1 P15121 1/20 0.35
▸ ESR1 P03372 2/20 0.34
▸ ESR2 Q92731 2/20 0.34
▸ KIF11 P52732 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ SLC6A4 P31645 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
SCHEMBL419410 0.87 VKORC1 (0.49) VKORC1KMT2AMEN1TYRALDH1A1
SCHEMBL9782878 0.86 MEN1 (0.44) VKORC1KMT2AMEN1TYRALDH1A1
SCHEMBL5507568 0.84 VKORC1 (0.41) VKORC1KMT2AMEN1TYRHSD17B10
SCHEMBL21753859 0.77 TYR (0.44) VKORC1KMT2AMEN1UGT2B7TYR
SCHEMBL5843477 0.77 KIF11 (0.47) VKORC1TYRALDH1A1KIF11TSHR
SCHEMBL4945776 0.73 TYR (0.43) KMT2AMEN1UGT2B7TYRALDH1A1
SCHEMBL9782879 0.73 L3MBTL1 (0.42) VKORC1KMT2AMEN1TYRALDH1A1
SCHEMBL9820588 0.73 MEN1 (0.48) VKORC1KMT2AMEN1TYRALDH1A1
SCHEMBL9770025 0.72 VKORC1 (0.41) VKORC1KMT2AMEN1TYRALDH1A1
SCHEMBL11040190 0.72 VKORC1 (0.53) VKORC1KMT2AMEN1TYRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1221489-A — — None — — JP disclosed
JP-H01221489-A MIXED LIQUID CRYSTAL COMPOSITION FUJITSU LTD 1989-09-04 — — JP disclosed
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