SCHEMBL23716319

SCHEMBL23716319

O=C(NCC(CO)c1ccccc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.59
GPR139 Q6DWJ6 1/20 0.57
POLB P06746 1/20 0.55
HTT P42858 1/20 0.55
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
PKM P14618 1/20 0.50
EPHX2 P34913 1/20 0.50
S1PR3 Q99500 3/20 0.48
S1PR2 O95136 1/20 0.48
S1PR4 O95977 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
OPRK1 P41145 1/20 0.47
TMEM97 Q5BJF2 1/20 0.46

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
SCHEMBL30818638 0.78 HPGD (0.56) HPGDGPR139POLBHTTKMT2A
SCHEMBL6161768 0.76 NPC1 (0.49) HPGDGPR139POLBHTTNPC1
SCHEMBL5866425 0.76 NPC1 (0.49) HPGDGPR139POLBHTTNPC1
SCHEMBL7287608 0.76 CYP1A2 (0.44) GPR139KMT2AKDM4EPKMCYP1A2
SCHEMBL16464365 0.75 P2RX7 (0.67) HPGDGPR139POLBHTTKMT2A
SCHEMBL17663873 0.74 S1PR3 (0.67) HPGDGPR139S1PR3S1PR2S1PR4
SCHEMBL6838166 0.74 HPGD (0.51) HPGDGPR139POLBHTTKMT2A
SCHEMBL6280523 0.74 MTNR1A (0.51) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL27920895 0.74 EPHX2 (0.80) HPGDPOLBHTTKMT2AMEN1
SCHEMBL5109834 0.73 TACR1 (0.42) HPGDGPR139POLBKMT2AMEN1

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-3209732-B1 SPHINGOSINE-1-PHOSPATE RECEPTOR MODULATORS FOR TREATMENT OF CARDIOPULMONARY DISORDERS SCRIPPS RESEARCH INST (US) 2021-08-04 EP disclosed