SCHEMBL11077100

SCHEMBL11077100

CCC(=O)CCc1ccc(C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.59
▸ RARB P10826 6/20 0.56
▸ IAPP P10997 1/20 0.56
▸ KMT2A Q03164 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ MAPT P10636 2/20 0.53
▸ RARA P10276 1/20 0.53
▸ MTOR P42345 1/20 0.53
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ TP53 P04637 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ RXRA P19793 2/20 0.45
▸ RXRB P28702 2/20 0.45
▸ F2RL1 P55085 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ THRB P10828 1/20 0.44

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
SCHEMBL12681504 0.85 IAPP (0.56) ALDH1A1IAPPKMT2AMEN1MAPT
SCHEMBL1874 0.82 ALDH1A1 (0.63) ALDH1A1IAPPKMT2AMAPTL3MBTL1
SCHEMBL13267781 0.82 IAPP (0.61) ALDH1A1IAPPL3MBTL1TDP1F2RL1
SCHEMBL8746185 0.80 CYP4A11 (0.60) ALDH1A1IAPPKMT2AMEN1MAPT
SCHEMBL19441526 0.80 IAPP (0.51) ALDH1A1IAPPL3MBTL1TDP1F2RL1
Propane SCHEMBL10621118 0.80 ALDH1A1 (0.61) ALDH1A1IAPPKMT2AMAPTL3MBTL1
SCHEMBL1058497 0.80 ALDH1A1 (0.67) ALDH1A1RARBKMT2AMEN1MAPT
SCHEMBL107381 0.80 IAPP (0.65) ALDH1A1IAPPKMT2AMEN1MAPT
SCHEMBL105765 0.80 TDP1 (0.62) ALDH1A1IAPPL3MBTL1TDP1F2RL1
SCHEMBL3367595 0.80 ALDH1A1 (0.63) ALDH1A1RARBKMT2AMEN1MAPT

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-4467112-A REACTING P-FORMYLBENZOIC ACID OR ESTER WITH KETONE, HYDROGENATION AND REDUCTION OF INTERMEDIATES KAWASAKI KASEI CHEMICALS LTD. (JP) 1984-08-21 — — US disclosed
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