SCHEMBL9551409

SCHEMBL9551409

O=C(OOCC(=O)N1CCOCC1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ ALDH1A1 P00352 4/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ HTT P42858 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ ENPP2 Q13822 2/20 0.48
▸ POLB P06746 2/20 0.48
▸ MAPT P10636 4/20 0.48
▸ AKR1C3 P42330 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ PHGDH O43175 1/20 0.47
▸ TP53 P04637 1/20 0.46
▸ FKBP1A P62942 3/20 0.46

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
SCHEMBL28575185 0.83 ALDH1A1 (0.68) RAB9ANPC1ALDH1A1KMT2AHTT
SCHEMBL6286462 0.80 CYP2C19 (0.53) RAB9AALDH1A1KMT2AHTTTDP1
SCHEMBL1115881 0.79 CYP1A2 (0.64) RAB9ANPC1KMT2APOLBAKR1C3
SCHEMBL6021876 0.76 KMT2A (0.43) RAB9ANPC1ALDH1A1KMT2ATDP1
SCHEMBL27672213 0.76 MAPT (0.48) RAB9ANPC1ALDH1A1KMT2ATDP1
SCHEMBL5651256 0.75 RAB9A (0.63) RAB9ANPC1KMT2ASMN1; SMN2PHGDH
SCHEMBL14139306 0.74 MAPT (0.52) RAB9AKMT2ATDP1POLBMAPT
SCHEMBL17087197 0.74 ALDH1A1 (0.52) RAB9ANPC1ALDH1A1KMT2AATM
SCHEMBL4987745 0.73 RECQL (0.67) ALDH1A1KMT2ARECQLTDP1POLB
SCHEMBL14378853 0.73 GAA (0.61) RAB9ANPC1ALDH1A1KMT2AMAPK1

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-5270302-A Derivatives of tetrapeptides as CCK agonists ABBOTT LABORATORIES (US) 1993-12-14 — — US disclosed
WO-1991019733-A1 DERIVATIVES OF TETRAPEPTIDES AS CCK AGONISTS ABBOTT LABORATORIES (US) 1991-12-26 — — WO disclosed
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