SCHEMBL11060023

SCHEMBL11060023

COc1ccc(-c2ccccc2C2NC(=O)N(CCC(=O)O)C2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
MAPT P10636 4/20 0.48
CYP3A4 P08684 3/20 0.48
LMNA P02545 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TP53 P04637 1/20 0.48
CYP2C9 P11712 2/20 0.46
NCOA3 Q9Y6Q9 1/20 0.43
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
POLB P06746 2/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
EDNRB P24530 1/20 0.40
EDNRA P25101 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL10602038 0.73 LMNA (0.62) ALDH1A1LMNACYP2C9CYP2D6CYP2C19
SCHEMBL11056072 0.71 MAPT (0.48) ALDH1A1MAPTCYP3A4HSD17B10TP53
SCHEMBL10599708 0.66 TDP1 (0.54) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL31488632 0.65 ALDH1A1 (0.56) ALDH1A1CYP3A4TP53CYP2C9POLB
SCHEMBL17622981 0.65 EP300 (0.59) ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL8573533 0.64 LMNA (0.43) MAPTLMNAPOLBATM
Acetic Acid SCHEMBL10500202 0.64 BACE1 (0.62) ALDH1A1MAPTLMNAPOLBSMN1; SMN2
SCHEMBL4216332 0.64 MMP2 (0.62) ALDH1A1HSD17B10FFAR1FFAR4POLB
Pyrrole SCHEMBL1260091 0.63 SMN1; SMN2 (0.59) ALDH1A1TP53CYP2C9POLBCYP2D6
SCHEMBL9449391 0.63 ATM (0.43) ALDH1A1MAPTHSD17B10POLBCYP2C19

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-4486344-A CARBONYLDIIMIDAZOLE AS LINKING AGENT, IMMUNOASSY MILES LABORATORIES, INC. (US) 1984-12-04 US disclosed
EP-0123114-A1 Urea-linked immunogens, antibodies, and preparative method MILES LABORATORIES, INC. (US) 1984-10-31 EP disclosed