SCHEMBL10552240

SCHEMBL10552240

COc1ccc(C(O)c2cccc(-c3ccc(C(F)(F)F)cc3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PTPN5 P54829 4/20 0.48
FFAR1 O14842 4/20 0.47
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
BACE1 P56817 1/20 0.44
ABL1 P00519 1/20 0.44
ABCB1 P08183 1/20 0.44
BCR P11274 1/20 0.44
HDAC4 P56524 2/20 0.43
NR1H4 Q96RI1 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43

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
SCHEMBL6473252 0.85 CASR (0.50) CASRMEN1KMT2AKDM4ENPC1
SCHEMBL11201464 0.85 KMT2A (0.54) MEN1KMT2AKDM4ESMN1; SMN2TDP1
SCHEMBL5782693 0.84 MEN1 (0.58) MEN1KMT2ARAB9ATDP1BACE1
SCHEMBL10552234 0.80 AKR1C3 (0.49) MEN1KMT2AFFAR1TDP1ALDH1A1
SCHEMBL28519052 0.79 MEN1 (0.51) MEN1KMT2ATDP1BACE1
SCHEMBL2274629 0.77 PTPN5 (0.69) CASRPTPN5FFAR1HDAC4
SCHEMBL2274622 0.77 PTPN5 (0.69) CASRPTPN5FFAR1HDAC4
SCHEMBL2274626 0.77 PTPN5 (0.69) CASRPTPN5FFAR1HDAC4
SCHEMBL27962430 0.77 NPSR1 (0.68) CASRKDM4ENPC1HPGDRAB9A
SCHEMBL13247934 0.77 NR1H4 (0.63) KDM4ENPC1HPGDRAB9ASMN1; SMN2

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
US-4866062-A TREATMENT OF DISEASES ARISING FROM A HYPOFUNCTION OF THE DOPAMINERGIC SYSTEM RICHTER GEDEON VEGYESZETI GYAR (HU) 1989-09-12 US disclosed