SCHEMBL7486996

SCHEMBL7486996

CC(=O)c1ccccc1O[C]=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.53
KDM4E B2RXH2 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 3/20 0.53
KMT2A Q03164 2/20 0.51
MAPT P10636 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HSD17B10 Q99714 2/20 0.44
ESR1 P03372 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
HMGB1 P09429 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
GGT1 P19440 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
BLM P54132 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL11848066 0.82 LMNA (0.51) LMNAKDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL3835294 0.82 KDM4E (0.55) LMNAKDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL6578299 0.81 SLC6A3 (0.57) LMNAKDM4EALDH1A1KMT2AMAPT
SCHEMBL5708950 0.79 LMNA (0.60) LMNAKDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL5633418 0.77 ELANE (0.54) LMNAKDM4EALDH1A1MAPTHSD17B10
SCHEMBL9814499 0.77 LMNA (0.58) LMNAKDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL29432808 0.77 SMN1; SMN2 (0.68) LMNAKDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL54071 0.77 SMN1; SMN2 (0.68) LMNAKDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL6575651 0.77 TSHR (0.65) LMNAKDM4EALDH1A1KMT2AMAPT
SCHEMBL2954799 0.77 ELANE (0.40) LMNAKDM4EALDH1A1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1204644-A1 SYNTHESIS OF SUBSTITUTED AMIDINES ELI LILLY AND COMPANY (US) 2002-05-15 EP disclosed
WO-2000078725-A1 SYNTHESIS OF SUBSTITUTED AMIDINES ELI LILLY AND COMPANY (US) 2000-12-28 WO disclosed
WO-2000078724-A2 IMIDAZOLINDERIVATIVES THEIR PREPARATION AND THEIR PHARMACEUTICAL USE ELI LILLY AND COMPANY (US) 2000-12-28 WO disclosed
US-4259350-A PROTECTING DEGRADABLE ORGANIC MATERIAL FROM FUNGAL OR INSECT ATTACK SANKYO COMPANY LIMITED (JP) 1981-03-31 US disclosed