SCHEMBL9776046

SCHEMBL9776046

C[C@](Cc1ccc(Cl)c(Cl)c1)(NC=O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ ALOX15 P16050 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ THPO P40225 1/20 0.46
▸ TSHR P16473 2/20 0.43
▸ FDPS P14324 1/20 0.43
▸ HAO1 Q9UJM8 1/20 0.39
▸ KIF11 P52732 1/20 0.38
▸ FFAR1 O14842 1/20 0.38

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
SCHEMBL9776042 1.00 HPGD (0.46) HPGDSMN1; SMN2KDM4EALDH1A1CYP1A2
SCHEMBL9776124 0.81 SMN1; SMN2 (0.47) HPGDSMN1; SMN2KDM4EALDH1A1CYP1A2
SCHEMBL9776114 0.81 SMN1; SMN2 (0.47) HPGDSMN1; SMN2KDM4EALDH1A1CYP1A2
SCHEMBL17506734 0.79 CYP3A4 (0.47) HPGDSMN1; SMN2KDM4EALDH1A1CYP1A2
SCHEMBL11393441 0.78 ALDH1A1 (0.48) HPGDSMN1; SMN2KDM4EALDH1A1CYP1A2
SCHEMBL11533035 0.77 ALDH1A1 (0.46) HPGDSMN1; SMN2KDM4EALDH1A1CYP1A2
SCHEMBL11533031 0.77 ALDH1A1 (0.46) HPGDSMN1; SMN2KDM4EALDH1A1CYP1A2
SCHEMBL9775999 0.77 TSHR (0.38) HPGDSMN1; SMN2TSHRFDPSHAO1
SCHEMBL11551261 0.76 KDM4E (0.42) HPGDSMN1; SMN2KDM4EALDH1A1CYP1A2
SCHEMBL9775967 0.74 MAPT (0.64) HPGDSMN1; SMN2KDM4EALDH1A1CYP1A2

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