SCHEMBL825600

SCHEMBL825600

CCC(C)C(=O)Oc1cccc(OC(=O)c2ccc(Br)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
MAPT P10636 4/20 0.43
PRSS1 P07477 1/20 0.42
ACR P10323 1/20 0.42
TP53 P04637 2/20 0.42
KMT2A Q03164 4/20 0.41
CYP1A2 P05177 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 2/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
THRB P10828 1/20 0.40
HIF1A Q16665 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL825491 0.88 KMT2A (0.53) MAPTKMT2AALDH1A1TDP1L3MBTL1
SCHEMBL17138193 0.84 KMT2A (0.47) TSHRMAPTKMT2AALDH1A1TDP1
SCHEMBL27552377 0.83 KDM4E (0.50) TSHRMAPTKMT2ACYP1A2ALDH1A1
SCHEMBL825605 0.82 ELANE (0.53) MAPTPRSS1ACRKMT2AALDH1A1
SCHEMBL825513 0.81 MAPT (0.49) MAPTKMT2AALDH1A1TDP1ESR1
SCHEMBL12419168 0.80 MGLL (0.45) MAPTKMT2AALDH1A1TDP1L3MBTL1
SCHEMBL825436 0.77 KMT2A (0.54) MAPTKMT2AALDH1A1TDP1L3MBTL1
SCHEMBL28376511 0.77 GPR139 (0.42)
SCHEMBL13068846 0.76 LMNA (0.54) MAPTPRSS1ACRKMT2ACYP1A2
SCHEMBL12419180 0.76 LMNA (0.58) MAPTKMT2ACYP1A2CYP2C19TDP1

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-8142977-B2 mixture of resin which decomposes under acid under exposure to actinic radiation, acid generator FUJIFILM CORPORATION (JP) 2012-03-27 US disclosed
US-20080241749-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2008-10-02 US disclosed