SCHEMBL10423929

SCHEMBL10423929

CCCCCCCCCCCCOc1ccc(C(C)=O)o1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.77
KMT2A Q03164 2/20 0.77
TDP1 Q9NUW8 1/20 0.77
TSHR P16473 2/20 0.44
TP53 P04637 1/20 0.44
PLA2G4B P0C869 2/20 0.43
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
NR5A1 Q13285 1/20 0.41
RARB P10826 3/20 0.41
NR1I2 O75469 1/20 0.41
CHRM2 P08172 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADRA2A P08913 1/20 0.41
MAPT P10636 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL10422671 1.00 MEN1 (0.77) MEN1KMT2ATDP1TSHRTP53
SCHEMBL27790134 1.00 MEN1 (0.77) MEN1KMT2ATDP1TSHRTP53
SCHEMBL10422505 1.00 MEN1 (0.77) MEN1KMT2ATDP1TSHRTP53
SCHEMBL8413515 1.00 MEN1 (0.77) MEN1KMT2ATDP1TSHRTP53
SCHEMBL10423930 1.00 MEN1 (0.77) MEN1KMT2ATDP1TSHRTP53
SCHEMBL10422634 1.00 MEN1 (0.77) MEN1KMT2ATDP1TSHRTP53
SCHEMBL10423264 1.00 MEN1 (0.77) MEN1KMT2ATDP1TSHRTP53
SCHEMBL10422462 0.92 MEN1 (0.66) MEN1KMT2ATDP1
SCHEMBL10423268 0.92 MEN1 (0.66) MEN1KMT2ATDP1
SCHEMBL10665961 0.92 MEN1 (0.66) MEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4980371-A TREATMENT OF HIV INFECTIONS/LEUKEMIA; ANTITUMOR AGENTS, ANTICARCINOGENIC AGENTS MERRELL DOW PHARMACEUTICALS (US) 1990-12-25 US disclosed
EP-0374886-A2 Antiretroviral furan ketones MERRELL DOW PHARMACEUTICALS INC. (US) 1990-06-27 EP disclosed
US-4738984-A SUBSTITUTED 5-OXY-2-FURYL KETONE MERRELL DOW PHARMACEUTICALS INC. (US) 1988-04-19 US disclosed
US-4602099-A Antirhinovirus agents MERRELL DOW PHARMACEUTICALS INC. (US) 1986-07-22 US disclosed