SCHEMBL11049870

SCHEMBL11049870

CC(C)CCc1cccc2sc3ccccc3c(=O)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.42
▸ GAA P10253 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CYP19A1 P11511 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
SCHEMBL1554114 0.88 MAPT (0.47) MAPTNPC1RAB9ACYP1A2CYP3A4
SCHEMBL2401853 0.84 MAPT (0.48) MAPTNPC1RAB9ACYP1A2CYP3A4
SCHEMBL31192989 0.84 MAPT (0.48) MAPTNPC1RAB9ACYP1A2CYP3A4
SCHEMBL30143864 0.83 MAPT (0.45) MAPTNPC1RAB9ACYP1A2CYP3A4
SCHEMBL166480 0.82 MAPT (0.51) MAPTNPC1RAB9ACYP1A2CYP3A4
SCHEMBL2419726 0.81 MAPT (0.46) MAPTNPC1RAB9ACYP1A2CYP3A4
SCHEMBL5319439 0.81 MAPT (0.44) MAPTNPC1RAB9ACYP1A2CYP3A4
SCHEMBL2312878 0.81 MAOA (0.48) MAPTNPC1RAB9ACYP1A2CYP3A4
SCHEMBL1042033 0.80 MAPT (0.47) MAPTNPC1RAB9ACYP1A2CYP3A4
SCHEMBL4912934 0.79 MAPT (0.44) MAPTNPC1RAB9ACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0036075-B1 MIXTURES BASED ON AROMATIC-ALIPHATIC KETONES, THEIR USE AS PHOTOINITIATORS AND PHOTOPOLYMERISABLE SYSTEMS CONTAINING SUCH MIXTURES MERCK PATENT GmbH (DE) 1984-06-06 — — EP disclosed
US-4434035-A Mixtures of aromatic-aliphatic ketones as photoinitiators and photopolymerizable systems containing them Merck Patent Gesellschaft mit beschr/a/ nkter Haftung (DE) 1984-02-28 — — US disclosed
US-4390453-A DISCOLORATION INHIBITION; ULTRAVIOLET HARDENING OF ACRYLIC INKS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-06-28 — — US disclosed
EP-0036075-A1 Mixtures based on aromatic-aliphatic ketones, their use as photoinitiators and photopolymerisable systems containing such mixtures MERCK PATENT GmbH (DE) 1981-09-23 — — EP disclosed
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