SCHEMBL10901482

SCHEMBL10901482

CCOC(=O)c1cc2c(cc1C(=O)OCC)C(=O)c1cc3ccccc3cc1C2=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
ALDH1A1 P00352 5/20 0.50
MAPT P10636 4/20 0.50
CDC25B P30305 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
HSD17B10 Q99714 1/20 0.50
MAPK1 P28482 1/20 0.50
KDM4E B2RXH2 5/20 0.49
GLA P06280 3/20 0.49
GAA P10253 3/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
GABRP O00591 1/20 0.49
GABRD O14764 1/20 0.49
GABRA1 P14867 1/20 0.49
GABRB1 P18505 1/20 0.49
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49
GABRA5 P31644 1/20 0.49

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
SCHEMBL8927648 0.86 TSHR (0.70) TSHRALDH1A1MAPTCDC25BNPC1
SCHEMBL10422199 0.86 TSHR (0.53) TSHRALDH1A1MAPTNPC1RAB9A
SCHEMBL29389855 0.86 TSHR (0.70) TSHRALDH1A1MAPTCDC25BNPC1
SCHEMBL10900936 0.83 TSHR (0.66) TSHRALDH1A1MAPTCDC25BNPC1
SCHEMBL29015141 0.79 TSHR (0.56) TSHRALDH1A1MAPTCDC25BNPC1
SCHEMBL10902620 0.79 TSHR (0.59) TSHRALDH1A1MAPTCDC25BNPC1
SCHEMBL10351393 0.78 TYMS (0.44) TSHRALDH1A1MAPTNPC1RAB9A
SCHEMBL11338215 0.78 TSHR (0.63) TSHRALDH1A1MAPTCDC25BNPC1
Diethyl Phthalate SCHEMBL28305370 0.78 TSHR (0.75) TSHRALDH1A1MAPTCDC25BNPC1
SCHEMBL4921083 0.78 GABRP (0.56) TSHRALDH1A1MAPTNPC1RAB9A

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-4617151-A 2- or 2,3-substituted 5,6,11,12-tetrathiotetracene and 5,6,11,12-tetraselenotetracene CIBA-GEIGY CORPORATION (US) 1986-10-14 US disclosed