SCHEMBL5408655

SCHEMBL5408655

C=CC(c1ccccc1)(c1ccccc1O)c1ccccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
TSHR P16473 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
KIF11 P52732 1/20 0.37
CA12 O43570 3/20 0.36
CA2 P00918 3/20 0.36
HPGD P15428 3/20 0.36
CA14 Q9ULX7 3/20 0.36
CYP3A4 P08684 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 2/20 0.36
CA4 P22748 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
GMNN O75496 1/20 0.36
EGFR P00533 1/20 0.36
LMNA P02545 1/20 0.36
FYN P06241 1/20 0.36
POLB P06746 1/20 0.36
CA3 P07451 1/20 0.36

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
SCHEMBL11780250 0.98 ALDH1A1 (0.43) ALDH1A1TSHRTDP1KIF11CA12
SCHEMBL912658 0.79 ALDH1A1 (0.41) ALDH1A1TSHRCYP3A4KDM4EALOX15
Ammonia Solution, Strong SCHEMBL6679103 0.77 ALDH1A1 (0.39) ALDH1A1TSHRCYP3A4KDM4EALOX15
SCHEMBL5469904 0.77 ESR1 (0.54) ALDH1A1TSHRTDP1KIF11CA12
SCHEMBL9617371 0.74 ALDH1A1 (0.37) ALDH1A1TSHRTDP1KIF11
SCHEMBL7203582 0.74 GABRA1 (0.43) ALDH1A1TSHRTDP1HPGDCYP3A4
SCHEMBL11802171 0.74 ALDH1A1 (0.48) ALDH1A1TSHRTDP1CA12CA2
SCHEMBL9286623 0.73 ALDH1A1 (0.47) ALDH1A1TSHRTDP1KIF11CA12
SCHEMBL7524048 0.73 ALDH1A1 (0.39) ALDH1A1TSHRTDP1KIF11CA12
SCHEMBL28467594 0.73 ALDH1A1 (0.38) ALDH1A1TSHRTDP1KIF11CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7271212-B2 Thermoplastic resin composition and shaped article DAICEL POLYMER, LTD. (JP) 2007-09-18 US disclosed
JP-2007070325-A BIS(HYDROXYPHENYL)ALKYLBENZENE DERIVATIVE HAVING OXETANE RING, METHOD FOR PRODUCING THE SAME AND OPTICAL WAVEGUIDE USING THE SAME NITTO DENKO CORP 2007-03-22 JP disclosed
US-20050032961-A1 Thermoplastic resin composition and shaped article DAICEL POLYMER, LTD. 2005-02-10 US disclosed