SCHEMBL8399515

SCHEMBL8399515

COC(=O)CCCC(=O)Oc1ccc2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
KMT2A Q03164 3/20 0.59
MAPT P10636 2/20 0.59
LMNA P02545 1/20 0.59
HTT P42858 1/20 0.59
HSD17B10 Q99714 1/20 0.59
MEN1 O00255 2/20 0.55
CYP1A2 P05177 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TDP1 Q9NUW8 1/20 0.49
NR1H4 Q96RI1 1/20 0.48
KDM4E B2RXH2 1/20 0.48
TSHR P16473 1/20 0.47
HDAC1 Q13547 1/20 0.47
EGFR P00533 1/20 0.46
ERBB2 P04626 1/20 0.46
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
CYP2A6 P11509 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL8401001 0.92 KMT2A (0.61) ALDH1A1KMT2AMAPTHTTHSD17B10
SCHEMBL11591529 0.87 KMT2A (0.60) ALDH1A1KMT2AMAPTHSD17B10MEN1
SCHEMBL17616870 0.87 KMT2A (0.60) ALDH1A1KMT2AMAPTHSD17B10MEN1
SCHEMBL29292307 0.87 KMT2A (0.54) ALDH1A1KMT2AMAPTLMNAHTT
SCHEMBL9807295 0.86 MEN1 (0.56) ALDH1A1KMT2AMAPTLMNAMEN1
SCHEMBL3945405 0.84 HDAC1 (0.61) ALDH1A1TDP1KDM4EHDAC1RAB9A
SCHEMBL5036303 0.84 CETP (0.56) ALDH1A1KMT2AMAPTLMNAMEN1
SCHEMBL16236079 0.84 CYP1A2 (0.54) ALDH1A1KMT2AMAPTHSD17B10MEN1
SCHEMBL1826963 0.83 CETP (0.58) ALDH1A1KMT2ALMNAMEN1CYP1A2
SCHEMBL17702569 0.83 CETP (0.58) ALDH1A1KMT2ALMNAMEN1CYP1A2

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
EP-0918754-A1 ANTHRANILIC ACID DIAMIDES DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL USE AS ANTI-GASTRIN AGENTS ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 1999-06-02 EP disclosed
WO-1998000404-A1 ANTHRANILIC ACID DIAMIDES DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL USE AS ANTI-GASTRIN AGENTS ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 1998-01-08 WO disclosed