SCHEMBL8902301

SCHEMBL8902301

COc1cc(OCc2ccccc2)c([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSV O60911 5/20 0.60
▸ CTSL P07711 5/20 0.60
▸ ABCB1 P08183 1/20 0.54
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ MAPT P10636 1/20 0.53
▸ MRGPRX4 Q96LA9 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.49
▸ HTR1A P08908 1/20 0.49
▸ ADRA1D P25100 1/20 0.49
▸ ADRA1A P35348 1/20 0.49
▸ ADRA1B P35368 1/20 0.49
▸ FOLH1 Q04609 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ RXRA P19793 1/20 0.48
▸ CYP19A1 P11511 1/20 0.47

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
SCHEMBL11232948 0.87 ABCB1 (0.57) CTSVCTSLABCB1MEN1KMT2A
SCHEMBL2722340 0.86 CTSV (0.60) CTSVCTSLABCB1MEN1KMT2A
SCHEMBL159283 0.85 CTSV (0.60) CTSVCTSLABCB1MEN1KMT2A
SCHEMBL873861 0.85 CTSV (0.60) CTSVCTSLABCB1MEN1KMT2A
SCHEMBL28257932 0.84 CTSV (0.63) CTSVCTSLABCB1MEN1KMT2A
SCHEMBL31756984 0.83 MEN1 (0.56) CTSVCTSLABCB1MEN1KMT2A
SCHEMBL10585706 0.83 MEN1 (0.56) CTSVCTSLABCB1MEN1KMT2A
SCHEMBL5095253 0.82 PKM (0.54) MAPTALDH1A1
SCHEMBL7116860 0.82 POLB (0.56) CTSVCTSLABCB1MEN1KMT2A
SCHEMBL6820117 0.82 HTR1A (0.51) CTSVCTSLABCB1MEN1KMT2A

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
US-5686482-A DOPAMINE RECEPTOR ANTAGONIST YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1997-11-11 — — US disclosed
EP-0757985-A1 N-(3-PYRROLIDINYL)BENZAMIDE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-02-12 — — EP disclosed
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