SCHEMBL14639656

SCHEMBL14639656

Cc1cc(Cl)cc(Oc2ccccc2NC(=O)C2CCN(C(=O)CC(C)C)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.49
POLB P06746 2/20 0.48
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
TRPV1 Q8NER1 3/20 0.46
KMT2A Q03164 2/20 0.45
ACHE P22303 1/20 0.45
BACE1 P56817 1/20 0.45
MGLL Q99685 1/20 0.43
ALDH1A1 P00352 1/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
F10 P00742 1/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL10173900 0.94 PTPN1 (0.53) PTPN1POLBGAAPKMTRPV1
SCHEMBL14639717 0.88 GAA (0.49) POLBGAAPKMTRPV1KMT2A
SCHEMBL9965408 0.84 GAA (0.49) PTPN1POLBGAAPKMKMT2A
SCHEMBL9965426 0.84 GAA (0.56) POLBGAAPKMTRPV1KMT2A
SCHEMBL9965382 0.84 PTPN1 (0.51) PTPN1POLBGAAPKMTRPV1
SCHEMBL9965428 0.82 GAA (0.53) POLBGAAPKMTRPV1KMT2A
SCHEMBL9965453 0.81 POLB (0.51) POLBGAAPKMTRPV1KMT2A
SCHEMBL642196 0.81 GAA (0.56) POLBGAAPKMKMT2AACHE
SCHEMBL9965405 0.80 GAA (0.51) PTPN1POLBGAAPKMTRPV1
SCHEMBL9965373 0.80 EPHX2 (0.52) PTPN1POLBGAAPKMTRPV1

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
WO-2007003934-A2 17BETA-HYDR0XYSTER0ID DEHYDROGENASE TYPE 3 (17BETA-HSD3 ) INHIBITORS STERIX LIMITED (GB) 2007-01-11 WO disclosed