SCHEMBL8128982

SCHEMBL8128982

CCOC(=O)Sc1cc(Cl)c2c(c1C)C(Cl)CCO2

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HTR4 Q13639 3/20 0.32
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL6721449 0.68 ADORA3 (0.40) HPGDNPSR1HTR4TDP1L3MBTL1
SCHEMBL8794695 0.63 KDM4E (0.39) MEN1HPGDKMT2AKDM4EALDH1A1
SCHEMBL24564675 0.62 CYP1A2 (0.41) MEN1HPGDKMT2ATDP1L3MBTL1
SCHEMBL8134482 0.62 FUCA1 (0.36) MEN1HPGDKMT2ANPSR1HTR4
SCHEMBL7537264 0.60 ALDH1A1 (0.44) MEN1HPGDKMT2ATDP1L3MBTL1
SCHEMBL8072013 0.60 ALDH1A1 (0.37) MEN1HPGDKMT2ANPSR1HTR4
SCHEMBL1570176 0.59 KDM4E (0.37) MEN1HPGDKMT2ATDP1KDM4E
SCHEMBL22281200 0.59 SMN1; SMN2 (0.38) HPGDNPSR1L3MBTL1KDM4EALDH1A1
SCHEMBL8603141 0.59 CA1 (0.36) MEN1HPGDKMT2AHTR4TDP1
SCHEMBL7377280 0.58 KDM4E (0.42) MEN1KMT2ATDP1L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6159904-A Pyrazole derivatives IDEMITSU KOSAN CO., LTD. (JP) 2000-12-12 US disclosed
EP-0970956-A1 PYRAZOLE DERIVATIVES IDEMITSU KOSAN COMPANY LIMITED (JP) 2000-01-12 EP disclosed