SCHEMBL10948733

SCHEMBL10948733

CCC(C)c1ccccc1-c1c(C(=O)O)ccc(C(=O)O)c1-c1ccccc1C(C)CC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.49
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MAPT P10636 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MAPK1 P28482 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.40
▸ MYC P01106 1/20 0.40
▸ MMP14 P50281 1/20 0.40
▸ POLB P06746 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ TTR P02766 1/20 0.39
▸ WDR5 P61964 1/20 0.39
▸ SELPLG Q14242 1/20 0.38
▸ HNF4A P41235 1/20 0.38

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
SCHEMBL21961149 0.81 TSHR (0.57) TSHRMEN1KMT2AMAPTALDH1A1
SCHEMBL1904536 0.81 TSHR (0.57) TSHRMEN1KMT2AMAPTALDH1A1
SCHEMBL8731749 0.76 TSHR (0.64) TSHRMEN1KMT2AMAPTALDH1A1
SCHEMBL1652930 0.74 ALDH1A1 (0.57) TSHRMEN1KMT2AMAPTALDH1A1
Hydrogen Peroxide SCHEMBL3675725 0.74 TSHR (0.74) TSHRLMNAL3MBTL1KDM4EPOLB
SCHEMBL11019777 0.74 DPP4 (0.52) MAPTALDH1A1LMNAL3MBTL1MAPK1
SCHEMBL1353325 0.73 TSHR (0.47) TSHRMEN1KMT2AMAPTALDH1A1
SCHEMBL14322500 0.73 TSHR (0.47) TSHRMEN1KMT2AMAPTALDH1A1
SCHEMBL39201 0.73 TSHR (0.52) TSHRMEN1KMT2AALDH1A1LMNA
SCHEMBL19254798 0.73 TSHR (0.47) TSHRMEN1KMT2AALDH1A1LMNA

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-4561000-A METHINE-TYPE CHROMOGEN, BENZOQUINONE OXIDIZER, COLOR PRODUCTION SENSITIVITY REGULATOR, SUBSTRATE MITSUI TOATSU CHEMICALS, INC. (JP) 1985-12-24 — — US disclosed
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