SCHEMBL9814499

SCHEMBL9814499

CC(=O)c1ccccc1OO

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.58
KDM4E B2RXH2 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
ALDH1A1 P00352 3/20 0.58
KMT2A Q03164 2/20 0.51
IRAK4 Q9NWZ3 1/20 0.50
MAPT P10636 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
HSD17B10 Q99714 2/20 0.48
ESR1 P03372 1/20 0.48
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
HMGB1 P09429 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
GGT1 P19440 1/20 0.48
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
BLM P54132 1/20 0.48
NAPRT Q6XQN6 1/20 0.48

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
SCHEMBL5708950 0.84 LMNA (0.60) LMNAKDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL9638920 0.83 CTNNB1 (0.58) LMNAKDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL54071 0.82 SMN1; SMN2 (0.68) LMNAKDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL29432808 0.82 SMN1; SMN2 (0.68) LMNAKDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL29679671 0.81 CTNNB1 (0.67) LMNAKDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL3179214 0.81 CTNNB1 (0.67) LMNAKDM4ESMN1; SMN2ALDH1A1KMT2A
Ethylene Glycol SCHEMBL29185194 0.81 LMNA (0.58) LMNAKDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL16976609 0.80 LMNA (0.56) LMNAKDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL11050544 0.80 KDM4E (0.74) LMNAKDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL1004350 0.80 KMT2A (0.59) LMNAKDM4ESMN1; SMN2ALDH1A1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0295883-B1 PROCESS FOR INTERMEDIATES TO LEUKOTRIENE ANTAGONISTS ELI LILLY AND COMPANY (US) 1991-08-21 EP disclosed
EP-0295883-A1 Process for intermediates to leukotriene antagonists ELI LILLY AND COMPANY (US) 1988-12-21 EP disclosed
US-4777298-A Process for intermediates to leukotriene antagonists ELI LILLY AND COMPANY (US) 1988-10-11 US disclosed