SCHEMBL11303489

SCHEMBL11303489

Cc1ccccc1-c1cc(Oc2ccc([N+](=O)[O-])c(-c3ccccc3C)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.49
▸ ALDH1A1 P00352 5/20 0.42
▸ HTT P42858 1/20 0.42
▸ TSHR P16473 3/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ GAA P10253 3/20 0.41
▸ MGAM O43451 1/20 0.41
▸ SI P14410 1/20 0.41
▸ MGAM2 Q2M2H8 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ S1PR1 P21453 1/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ MEN1 O00255 3/20 0.40

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
SCHEMBL8158755 0.84 HSD17B10 (0.49) HSD17B10ALDH1A1TSHRTDP1SMN1; SMN2
SCHEMBL28069343 0.81 CYP19A1 (0.54) HSD17B10ALDH1A1TSHRTDP1KMT2A
SCHEMBL30564320 0.79 HSD17B10 (0.69) HSD17B10ALDH1A1TSHRTDP1SMN1; SMN2
SCHEMBL2360248 0.79 HSD17B10 (0.69) HSD17B10ALDH1A1TSHRTDP1SMN1; SMN2
SCHEMBL29351814 0.79 ALDH1A1 (0.52) ALDH1A1HTTSMN1; SMN2NPC1RAB9A
SCHEMBL22530866 0.79 ALDH1A1 (0.52) ALDH1A1HTTSMN1; SMN2NPC1RAB9A
SCHEMBL30072571 0.78 HSD17B10 (0.52) HSD17B10ALDH1A1HTTTSHRTDP1
SCHEMBL443483 0.78 HSD17B10 (0.52) HSD17B10ALDH1A1HTTTSHRTDP1
SCHEMBL22530819 0.77 S1PR1 (0.41) HSD17B10ALDH1A1HTTSMN1; SMN2GAA
SCHEMBL29349939 0.77 S1PR1 (0.41) HSD17B10ALDH1A1HTTSMN1; SMN2GAA

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-56092202-A — — None — — JP disclosed
JP-S5692202-A PREVENTION OF AXILLARY BUD OF PLANT OF SOLANACEAE TOKYO ORGAN CHEM IND LTD 1981-07-25 — — JP disclosed
Send feedback