SCHEMBL11612413

SCHEMBL11612413

CC(C)(C)c1c(O)c(C(C)(C)C)c(S)c(C(=O)OCc2ccc[nH]2)c1S

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
RECQL P46063 1/20 0.33
ATM Q13315 1/20 0.33
RAB9A P51151 5/20 0.32
NPC1 O15118 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
POLB P06746 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL11605716 0.79 LMNA (0.48) KMT2AATMRAB9ANPC1SMN1; SMN2
SCHEMBL11609503 0.77 FDPS (0.33)
SCHEMBL11608118 0.76 KMT2A (0.41) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL11605439 0.75 RAB9A (0.49) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL11608239 0.75 ALDH1A1 (0.50) MEN1KMT2ARECQLRAB9AGAA
SCHEMBL11608233 0.75 NPC1 (0.41) MEN1KMT2ARECQLRAB9ANPC1
SCHEMBL11611147 0.74 ALOX5 (0.42) RECQLRAB9ANPC1SMN1; SMN2GAA
SCHEMBL11611042 0.74 MEN1 (0.43) MEN1KMT2ARAB9ANPC1GAA
SCHEMBL11613178 0.71 ESR1 (0.41) MEN1KMT2ARAB9AALDH1A1KDM4E
SCHEMBL11607189 0.71 IDO1 (0.41) KMT2ANPC1SMN1; SMN2ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4083989-A MORPHOGENETIC HORMONAL MIMETIC ACTIVITY CHEVRON RESEARCH COMPANY (US) 1978-04-11 US disclosed
US-3988471-A Insect control employing certain benzoates CHEVRON RESEARCH COMPANY (US) 1976-10-26 US disclosed