SCHEMBL11736293

SCHEMBL11736293

CC(=O)c1ccc(C2(C(C)(C)C)OCCO2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 4/20 0.38
RAB9A P51151 3/20 0.38
KMT2A Q03164 3/20 0.38
HPGD P15428 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD17B1 P14061 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A1 P04798 1/20 0.36
ESRRA P11474 1/20 0.36
STS P08842 1/20 0.36
CYP26A1 O43174 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
CYP26B1 Q9NR63 1/20 0.35

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
SCHEMBL9177239 0.88 RXRA (0.47) SMN1; SMN2HPGDCYP26A1RXRARXRB
SCHEMBL9180083 0.86 NOS1 (0.40) MAPTKMT2AL3MBTL1CYP2C9CYP2C19
SCHEMBL9179713 0.83 ALDH1A1 (0.42) SMN1; SMN2HPGD
SCHEMBL9179652 0.78 PTPN1 (0.50) SMN1; SMN2MAPTRAB9AKMT2AHPGD
SCHEMBL9181098 0.77 CA1 (0.41) SMN1; SMN2MAPTRAB9AKMT2ANPC1
SCHEMBL9278182 0.77 HDAC3 (0.39) SMN1; SMN2LMNAMAPTRAB9AKMT2A
SCHEMBL3987895 0.76 TAAR1 (0.35)
SCHEMBL5616820 0.76 LMNA (0.43) SMN1; SMN2LMNAMAPTRAB9AKMT2A
SCHEMBL18086910 0.75 OPRM1 (0.37) SMN1; SMN2L3MBTL1MAPK1
SCHEMBL11737844 0.74 NPC1 (0.39) SMN1; SMN2MAPTRAB9AKMT2AHPGD

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-4051261-A HYPOLIPIDEMIC, ANTIDIABETIC SANDOZ, INC. (US) 1977-09-27 US disclosed