SCHEMBL21539944

SCHEMBL21539944

O=C1c2ccccc2C(c2ccc(Cl)cc2C(O)C2(CO)CC2)N1Cc1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 5/20 0.42
HPGD P15428 3/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 2/20 0.35
FFAR1 O14842 1/20 0.33
P2RX7 Q99572 1/20 0.33
TP53 P04637 1/20 0.33
CA12 O43570 1/20 0.33
CCR4 P51679 2/20 0.33
MCL1 Q07820 1/20 0.33
BAD Q92934 1/20 0.33
MAPT P10636 2/20 0.32
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
SCN9A Q15858 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL21539942 0.84 MDM2 (0.41) MDM2HPGDLMNAALDH1A1FFAR1
SCHEMBL21539910 0.84 MAPT (0.41) MDM2HPGDALDH1A1FFAR1TP53
SCHEMBL17366171 0.76 MDM2 (0.49) MDM2HPGDLMNAALDH1A1TP53
SCHEMBL20100175 0.66 MDM2 (0.44) MDM2ALDH1A1TP53MAPT
SCHEMBL27246030 0.64 TDP1 (0.44) MDM2HPGDLMNAALDH1A1CA12
SCHEMBL21539815 0.61 HPGD (0.41) MDM2HPGDLMNAALDH1A1TP53
SCHEMBL2453711 0.60 MDM2 (1.00) MDM2TP53
SCHEMBL7997320 0.60 MDM2 (1.00) MDM2TP53
SCHEMBL30121977 0.59 MDM2 (0.64) MDM2HPGDLMNAALDH1A1TP53
SCHEMBL17962620 0.59 HPGD (0.46) MDM2HPGDLMNAALDH1A1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2960233-B1 NEW THERAPEUTIC AGENTS CANCER RESEARCH TECH LTD (GB) 2019-10-30 EP disclosed