SCHEMBL10890002

SCHEMBL10890002

CCOC(=O)C1CC2(C(=O)c3ccccc3)C=CC1O2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
MAPT P10636 2/20 0.38
PKM P14618 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 5/20 0.36
USP2 O75604 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL10884703 0.72 ALDH1A1 (0.41) TSHRALDH1A1HTT
SCHEMBL10884534 0.71 TSHR (0.44) TSHRMAPTMEN1KMT2ACYP1A2
SCHEMBL19927729 0.71 NFKB1 (0.35) TSHRSMN1; SMN2POLBHPGD
SCHEMBL19968798 0.71 NFKB1 (0.35) TSHRSMN1; SMN2POLBHPGD
SCHEMBL18179524 0.68 SMN1; SMN2 (0.35) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL4815395 0.62 NR1D1 (0.48) TSHRMAPTPKMMEN1KMT2A
SCHEMBL14193309 0.62 NR1D1 (0.48) TSHRMAPTPKMMEN1KMT2A
SCHEMBL4135351 0.62 MAPT (0.62) TSHRMAPTPKMSIGMAR1MEN1
SCHEMBL4129635 0.62 MAPT (0.62) TSHRMAPTPKMSIGMAR1MEN1
SCHEMBL22640217 0.62 TSHR (0.55) TSHRMAPTPKMMEN1KMT2A

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
EP-0097124-B1 PROCESS FOR THE PHOTOPOLYMERISATION OF UNSATURATED COMPOUNDS CIBA-GEIGY AG (CH) 1986-10-15 EP disclosed
US-4498964-A PHOTOINITIATORS FOR HIGH-SPEED CURING OF PRINTING INKS, PAINTS, PHOTORESISTS AND FILMS CIBA-GEIGY CORPORATION (US) 1985-02-12 US disclosed