SCHEMBL21130128

SCHEMBL21130128

CC1(C)c2cc3c(cc2-c2c1ccc1ccccc21)C(C)(C)c1ccc2ccccc2c1-3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
ALDH1A1 P00352 5/20 0.39
HSD17B10 Q99714 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP2A6 P11509 2/20 0.39
TSHR P16473 2/20 0.39
HIF1A Q16665 1/20 0.39
CYP1B1 Q16678 1/20 0.39
DNMT1 P26358 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
HPRT1 P00492 1/20 0.37
KDM4E B2RXH2 3/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
APEX1 P27695 1/20 0.37
RECQL P46063 1/20 0.37
DHFR P00374 1/20 0.36
TYMS P04818 1/20 0.36

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
SCHEMBL20419970 0.98 MAPT (0.39) MAPTALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL14353275 0.93 MAPT (0.42) MAPTALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL21130445 0.92 DNMT1 (0.37) MAPTALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL19901497 0.92 HPRT1 (0.35) MAPTALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL21695236 0.88 MAPT (0.33) MAPTALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL20806432 0.88 CYP1A2 (0.41) MAPTALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL15895360 0.88 MAPT (0.33) MAPTALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL22402065 0.88 HSP90AA1 (0.37) MAPTCYP2A6CYP1B1MEN1KMT2A
SCHEMBL13152863 0.87 POLB (0.35) MAPTALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL15505757 0.87 CYP2A6 (0.36) MAPTALDH1A1HSD17B10TDP1CYP2A6

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
EP-2858980-B1 PHENANTHRENES FOR USE IN ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-06-26 EP disclosed