SCHEMBL7409151

SCHEMBL7409151

CCCCC(=O)Cc1c(C)cccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TSHR P16473 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 2/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
KCNMA1 Q12791 1/20 0.38

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
Ethylene SCHEMBL7412898 0.83 TDP1 (0.49) TDP1L3MBTL1TSHRSMN1; SMN2HSD17B10
SCHEMBL27321459 0.81 TSHR (0.55) TDP1L3MBTL1TSHRSMN1; SMN2HSD17B10
SCHEMBL16397415 0.81 TDP1 (0.60) TDP1L3MBTL1TSHRSMN1; SMN2HSD17B10
SCHEMBL4408694 0.81 TDP1 (0.60) TDP1L3MBTL1TSHRSMN1; SMN2HSD17B10
SCHEMBL31377046 0.78 TDP1 (0.53) TDP1L3MBTL1TSHRSMN1; SMN2HSD17B10
SCHEMBL7877955 0.78 TDP1 (0.57) TDP1L3MBTL1TSHRSMN1; SMN2HSD17B10
SCHEMBL13930332 0.76 L3MBTL1 (0.48) TDP1L3MBTL1TSHRSMN1; SMN2HSD17B10
SCHEMBL31016530 0.76 L3MBTL1 (0.48) TDP1L3MBTL1TSHRSMN1; SMN2HSD17B10
SCHEMBL792508 0.76 TSHR (0.56) TDP1L3MBTL1TSHRSMN1; SMN2HSD17B10
Valeric Acid SCHEMBL27575451 0.75 HSD17B10 (0.61) TDP1L3MBTL1TSHRSMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0640080-A1 SUBSTITUTED INDOLES AND AZAINDOLES AS ANGIOTENSIN II ANTAGONISTS. SYNTEX INC (US) 1995-03-01 EP disclosed
US-5380739-A Angiotensin II antagonists SYNTEX (U.S.A.) INC. (US) 1995-01-10 US disclosed
WO-1993023391-A1 SUBSTITUTED INDOLES AND AZAINDOLES AS ANGIOTENSIN II ANTAGONISTS SYNTEX (U.S.A.) INC. (US) 1993-11-25 WO disclosed
US-5212195-A Substituted indole antagonists derivatives which are angiotensin II SYNTEX (U.S.A.) INC. (US) 1993-05-18 US disclosed