SCHEMBL7764709

SCHEMBL7764709

CC(C)(C)C(=O)C1OC1c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.56
TSHR P16473 1/20 0.53
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.43
HBB P68871 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RIPK1 Q13546 8/20 0.40
CAPN1 P07384 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL7764706 1.00 EPHX1 (0.56) EPHX1TSHRMEN1TP53CYP1A2
SCHEMBL7775690 0.84 EPHX1 (0.57) EPHX1TSHRMEN1TP53CYP1A2
SCHEMBL11256359 0.84 FTO (0.40) EPHX1TSHRMEN1TP53CYP1A2
SCHEMBL7775691 0.84 EPHX1 (0.57) EPHX1TSHRMEN1TP53CYP1A2
SCHEMBL5287134 0.81 EPHX1 (0.56) EPHX1TSHRMEN1TP53CYP1A2
SCHEMBL14623032 0.81 EPHX1 (0.56) EPHX1TSHRMEN1TP53CYP1A2
SCHEMBL7775658 0.80 RIPK1 (0.46) EPHX1TSHRCYP2C19RIPK1L3MBTL1
SCHEMBL7775657 0.80 RIPK1 (0.46) EPHX1TSHRCYP2C19RIPK1L3MBTL1
SCHEMBL28353495 0.78 EPHX1 (0.62) EPHX1TSHRMEN1TP53CYP1A2
SCHEMBL28353470 0.78 EPHX1 (0.62) EPHX1TSHRMEN1TP53CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821679-B1 ASYMMETRIC EPOXIDES, THEIR SYNTHESIS AND USE CHIROTECH TECHNOLOGY LTD (GB) 2001-07-11 EP claimed
WO-1996033183-A1 ASYMMETRIC EPOXIDES, THEIR SYNTHESIS AND USE CHIROSCIENCE LIMITED (GB) 1996-10-24 WO claimed
CN-110590712-B Method for preparing epoxide by aerobic epoxidation of olefin by one-pot method 大连理工大学 2022-08-09 CN disclosed
CN-110590712-A Method for preparing epoxide by aerobic epoxidation of olefin by one-pot method 大连理工大学 2019-12-20 CN disclosed
EP-0821679-B1 ASYMMETRIC EPOXIDES, THEIR SYNTHESIS AND USE CHIROTECH TECHNOLOGY LTD (GB) 2001-07-11 EP disclosed
US-6228955-B1 CATALYTIC EPOXIDATION OF A CORRESPONDING PROCHIRALM, NON-ENOLIZABLE A/B-UNSATURATED KETONE CHIROTECH TECHNOLOGY, LTD. (GB) 2001-05-08 US disclosed
WO-1996033183-A1 ASYMMETRIC EPOXIDES, THEIR SYNTHESIS AND USE CHIROSCIENCE LIMITED (GB) 1996-10-24 WO disclosed