SCHEMBL8675702

SCHEMBL8675702

O=C(OCCCc1cc([N+](=O)[O-])ccc1OCc1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ CYP19A1 P11511 6/20 0.49
▸ BCHE P06276 1/20 0.48
▸ ITGA4 P13612 1/20 0.45
▸ ITGB7 P26010 1/20 0.45
▸ MTNR1B P49286 1/20 0.45
▸ CYP11B1 P15538 2/20 0.45
▸ CYP11B2 P19099 2/20 0.45
▸ LMNA P02545 1/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.44
▸ PTGER1 P34995 2/20 0.44
▸ PTGER4 P35408 2/20 0.44
▸ PTGER3 P43115 2/20 0.44
▸ PTGER2 P43116 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ PPIA P62937 1/20 0.43

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
SCHEMBL28377419 0.88 MAPT (0.55) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL8676066 0.84 ESR1 (0.52) KMT2AMTNR1BLMNAPTGER1PTGER4
SCHEMBL8675086 0.83 TDP1 (0.55) MAPTKMT2AALDH1A1RAB9AMTNR1B
SCHEMBL8324001 0.82 PTGER1 (0.54) MAPTMEN1KMT2AALDH1A1CYP19A1
SCHEMBL8677570 0.82 PTGER1 (0.57) MTNR1BPTGER1TDP1
SCHEMBL8677652 0.82 PTGER1 (0.49) KMT2ABCHEMTNR1BPTGER1PTGER4
SCHEMBL8322249 0.82 PTGER1 (0.67) MAPTMEN1KMT2AALDH1A1CYP19A1
SCHEMBL8676387 0.81 PTGER1 (0.62) KMT2ARAB9ALMNAPTGER1PTGER4
SCHEMBL8678301 0.81 MTNR1B (0.50) KMT2AALDH1A1RAB9AMTNR1BLMNA
SCHEMBL8675698 0.81 MEN1 (0.52) MAPTMEN1KMT2AALDH1A1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811459-A PAIN RELIEVERS ZENECA LIMITED (GB) 1998-09-22 — — US disclosed
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