SCHEMBL9776114

SCHEMBL9776114

CC(=O)NC(C)(Cc1ccc(Cl)c(Cl)c1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ THPO P40225 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ TSHR P16473 2/20 0.44
▸ FDPS P14324 1/20 0.44
▸ FFAR1 O14842 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL9776124 1.00 SMN1; SMN2 (0.47) SMN1; SMN2MAPK1POLBHPGDKDM4E
SCHEMBL9001364 0.84 TSHR (0.45) SMN1; SMN2MAPK1POLBHPGDALDH1A1
SCHEMBL9776042 0.81 HPGD (0.46) SMN1; SMN2MAPK1POLBHPGDKDM4E
SCHEMBL9776046 0.81 HPGD (0.46) SMN1; SMN2MAPK1POLBHPGDKDM4E
SCHEMBL22033119 0.78 BLM (0.56) SMN1; SMN2MAPK1POLBHPGDKDM4E
SCHEMBL6718744 0.78 ALDH1A1 (0.56) SMN1; SMN2MAPK1POLBHPGDKDM4E
SCHEMBL2329888 0.78 ALDH1A1 (0.53) SMN1; SMN2MAPK1POLBHPGDKDM4E
SCHEMBL8410894 0.78 ALDH1A1 (0.53) SMN1; SMN2MAPK1POLBHPGDKDM4E
SCHEMBL2331138 0.78 ALDH1A1 (0.53) SMN1; SMN2MAPK1POLBHPGDKDM4E
SCHEMBL11400920 0.77 ALDH1A1 (0.49) SMN1; SMN2MAPK1POLBHPGDKDM4E

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
US-4994617-A Analgesics JOUVEINAL S.A. (FR) 1991-02-19 — — US disclosed
EP-0237366-B1 AMINO ALCOHOLS, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATIONS, IN PARTICULAR FOR THEREPEUTICAL USE JOUVEINAL S.A. (FR) 1989-04-26 — — EP disclosed
EP-0237366-A1 Amino alcohols, process for their preparation and their applications, in particular for therepeutical use JOUVEINAL S.A. (FR) 1987-09-16 — — EP disclosed
Send feedback