SCHEMBL7696360

SCHEMBL7696360

O=C(CCCI)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
MAPK1 P28482 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
TDP1 Q9NUW8 3/20 0.50
KMT2A Q03164 2/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
LMNA P02545 2/20 0.49
HTT P42858 1/20 0.47
EPHX2 P34913 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
NOTUM Q6P988 1/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
CDC25B P30305 1/20 0.45

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
Ammonia Solution, Strong SCHEMBL27465058 0.98 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL21121060 0.95 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL11842148 0.93 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL10839078 0.93 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL9840777 0.89 ALDH1A1 (0.63) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL3963428 0.89 ALDH1A1 (0.68) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL18673 0.89 ALDH1A1 (0.68) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL7404143 0.87 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
Ammonia Solution, Strong SCHEMBL28215437 0.87 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL4941879 0.87 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1TDP1KMT2A

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
WO-2023014979-A9 CONJUGATES COMPRISING COVALENT BINDERS FOR TARGETING INTRACELLULAR KRAS G12C PROTEINS RAYZEBIO, INC. (US) 2023-04-27 WO disclosed
WO-2023014979-A1 CONJUGATES COMPRISING COVALENT BINDERS FOR TARGETING INTRACELLULAR KRAS G12C PROTEINS RAYZEBIO, INC. (US) 2023-02-09 WO disclosed
US-8673908-B2 Kynurenine production inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-03-18 US disclosed
WO-2002058635-A2 NICOTINE IMMUNOGENS AND ANTIBODIES AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE (US) 2002-08-01 WO disclosed