SCHEMBL9849169

SCHEMBL9849169

CCCCCCCC1OO1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
TSHR P16473 3/20 0.47
THRB P10828 1/20 0.47
EPHX1 P07099 1/20 0.46
CYP1A2 P05177 3/20 0.38
TDP1 Q9NUW8 1/20 0.37
DNM1 Q05193 4/20 0.36
LMNA P02545 2/20 0.36
SPHK2 Q9NRA0 2/20 0.36
SPHK1 Q9NYA1 2/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC22A1 O15245 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
SCHEMBL8186591 1.00 ALDH1A1 (0.56) ALDH1A1TSHRTHRBEPHX1CYP1A2
SCHEMBL1456092 1.00 ALDH1A1 (0.56) ALDH1A1TSHRTHRBEPHX1CYP1A2
SCHEMBL1456098 1.00
Bromide SCHEMBL15201917 0.97 ALDH1A1 (0.54) ALDH1A1TSHRTHRBEPHX1CYP1A2
SCHEMBL3921476 0.97
Bicarbonate SCHEMBL9639757 0.88 ALDH1A1 (0.46) ALDH1A1TSHRTDP1HSD17B10MEN1
Bicarbonate SCHEMBL9640643 0.88 ALDH1A1 (0.46) ALDH1A1TSHRTDP1HSD17B10MEN1
Bicarbonate SCHEMBL9639505 0.88 ALDH1A1 (0.46) ALDH1A1TSHRTDP1HSD17B10MEN1
SCHEMBL7659076 0.88
SCHEMBL7696512 0.85

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
EP-0453275-A1 Process for producing epoxy compound NIPPON OIL CO. LTD. (JP) 1991-10-23 EP claimed
EP-0453275-A1 Process for producing epoxy compound NIPPON OIL CO. LTD. (JP) 1991-10-23 EP disclosed