SCHEMBL11091013

SCHEMBL11091013

COc1ccc(C(=O)N2CC[C@H](O)C2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
KDM4E B2RXH2 1/20 0.57
MEN1 O00255 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
MAPT P10636 1/20 0.57
THRB P10828 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
RECQL P46063 1/20 0.57
BLM P54132 1/20 0.57
HPGD P15428 1/20 0.53
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
GRM3 Q14832 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 4/20 0.48
LMNA P02545 2/20 0.48
TSHR P16473 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
SCHEMBL1171649 1.00 KMT2A (0.57) KMT2AKDM4EMEN1CYP1A2CYP2D6
SCHEMBL1171653 1.00 KMT2A (0.57) KMT2AKDM4EMEN1CYP1A2CYP2D6
SCHEMBL7622118 0.84 KMT2A (0.56) KMT2AKDM4EMEN1CYP1A2CYP2D6
SCHEMBL11388422 0.84 ALDH1A1 (0.57) KMT2AKDM4EMEN1CYP1A2CYP2D6
SCHEMBL7622115 0.84 KMT2A (0.56) KMT2AKDM4EMEN1CYP1A2CYP2D6
SCHEMBL7622111 0.84 KMT2A (0.56) KMT2AKDM4EMEN1CYP1A2CYP2D6
SCHEMBL7604779 0.81 KMT2A (0.50) KMT2AKDM4EMEN1CYP1A2CYP2D6
SCHEMBL10952357 0.81 PDE4B (0.47) HPGDALDH1A1LMNAHSD11B1
SCHEMBL10952353 0.81 PDE4B (0.47) HPGDALDH1A1LMNAHSD11B1
SCHEMBL11094637 0.81 KMT2A (0.52) KMT2AKDM4EMEN1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4461906-A IMPROVING INTELLECTUAL CAPACITY HOFFMANN-LA ROCHE INC. (US) 1984-07-24 US claimed
EP-0024030-B1 PYRROLIDINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-03-30 EP claimed
EP-0024030-A1 Pyrrolidine derivatives, processes for their preparation and pharmaceutical compositions containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-02-18 EP claimed
US-4461906-A IMPROVING INTELLECTUAL CAPACITY HOFFMANN-LA ROCHE INC. (US) 1984-07-24 US disclosed
EP-0024030-B1 PYRROLIDINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-03-30 EP disclosed
EP-0024030-A1 Pyrrolidine derivatives, processes for their preparation and pharmaceutical compositions containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-02-18 EP disclosed