SCHEMBL7674381

SCHEMBL7674381

CC(C)c1c(CCc2ccccc2)[nH]c(=O)[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DAO P14920 5/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
CAPN1 P07384 1/20 0.41
PKM P14618 1/20 0.41
TAAR1 Q96RJ0 2/20 0.40
TYMP P19971 1/20 0.40
KDM5A P29375 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
GPR84 Q9NQS5 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HCAR2 Q8TDS4 1/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL1287916 0.86 TYMP (0.47) DAOPOLBHPGDCAPN1TYMP
SCHEMBL18080426 0.72 KCNMA1 (0.47) POLBHPGDCAPN1NPC1RAB9A
SCHEMBL7672761 0.71 ALDH1A1 (0.48) DAOPOLBHPGDCAPN1KDM5A
SCHEMBL7674378 0.68 LMNA (0.44) DAOPOLBHPGDTYMPKDM4E
SCHEMBL7070893 0.67 DHFR (0.47) POLBHPGDTYMPKDM4EMEN1
SCHEMBL5270175 0.65 DAO (0.50) DAOTAAR1NPC1HTTRAB9A
SCHEMBL5197218 0.65 TYMP (0.57) DAOHPGDTYMPKDM4EMAPT
SCHEMBL19066702 0.64 TAAR1 (0.56) HPGDTAAR1MEN1KMT2AALDH1A1
SCHEMBL27711723 0.64 TYMP (0.51) DAOHPGDTYMPKMT2AALDH1A1
SCHEMBL27711724 0.64 TYMP (0.51) DAOHPGDTYMPKDM4EKMT2A

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-6452006-B1 USED AS INTERMEDIATE IN THE SYNTHESIS OF ACTIVE COMPOUNDS WHICH ARE INHIBITORS OF HIV (HUMAN IMMUNODEFICIENCY VIRUS) REVERSE TRANSCRIPTASE SYLACHIM (FR) 2002-09-17 US disclosed