SCHEMBL9747602

SCHEMBL9747602

CCCCCCCCC(=O)Nc1ccccc1C(=O)OO

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.62
ALDH1A1 P00352 1/20 0.62
ALOX12 P18054 1/20 0.62
CETP P11597 2/20 0.60
SOAT1 P35610 2/20 0.59
EP300 Q09472 1/20 0.54
POLB P06746 1/20 0.54
ATM Q13315 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KDM4E B2RXH2 2/20 0.54
TSHR P16473 1/20 0.54
HSD17B10 Q99714 1/20 0.54
P2RX7 Q99572 1/20 0.53
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51

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
SCHEMBL11902610 0.90 ALDH1A1 (0.74) KMT2AALDH1A1ALOX12CETPSOAT1
SCHEMBL7626848 0.90 ALDH1A1 (0.74) KMT2AALDH1A1ALOX12CETPSOAT1
SCHEMBL7630919 0.90 ALDH1A1 (0.74) KMT2AALDH1A1ALOX12CETPSOAT1
SCHEMBL7632095 0.88 KDM4E (0.69) KMT2AALDH1A1ALOX12CETPSOAT1
SCHEMBL7628954 0.88 KDM4E (0.69) KMT2AALDH1A1ALOX12CETPSOAT1
SCHEMBL1039949 0.88 KDM4E (0.69) KMT2AALDH1A1ALOX12CETPSOAT1
SCHEMBL7633248 0.88 KDM4E (0.69) KMT2AALDH1A1ALOX12CETPSOAT1
SCHEMBL7632457 0.86 ALDH1A1 (0.67) KMT2AALDH1A1ALOX12CETPSOAT1
SCHEMBL7635989 0.86 ALDH1A1 (0.67) KMT2AALDH1A1ALOX12CETPSOAT1
SCHEMBL7627006 0.86 ALDH1A1 (0.67) KMT2AALDH1A1ALOX12CETPSOAT1

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-5098598-A Organic percarboxylic acids as bleaches and as antiseptics INTEROX CHEMICALS LIMITED (GB) 1992-03-24 US disclosed