SCHEMBL9710090

SCHEMBL9710090

CCC(C)(C)CC(C)(C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
ALDH1A1 P00352 2/20 0.36
ACLY P53396 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
THRB P10828 1/20 0.32
KMT2A Q03164 1/20 0.32
FFAR3 O14843 1/20 0.32
KDM4E B2RXH2 1/20 0.31
FFAR1 O14842 1/20 0.31
CPT2 P23786 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31

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
SCHEMBL797973 0.80 TSHR (0.47) TSHRALDH1A1ACLYCYP2D6CYP2C19
SCHEMBL8359184 0.79 TSHR (0.36) TSHRALDH1A1ACLYCYP2D6CYP2C19
SCHEMBL16863804 0.79 ACLY (0.40) TSHRALDH1A1ACLYCYP2D6CYP2C19
SCHEMBL18084166 0.79 GAA (0.36) ALDH1A1TDP1
SCHEMBL13189921 0.79 TSHR (0.36) TSHRALDH1A1ACLYCYP2D6CYP2C19
Dimebutic Acid SCHEMBL47533 0.77
SCHEMBL22080420 0.77 TSHR (0.35) TSHRALDH1A1ACLYCYP2D6CYP2C19
SCHEMBL12744756 0.77 TSHR (0.35) TSHRALDH1A1ACLYCYP2D6CYP2C19
SCHEMBL11981935 0.77 KDM4E (0.50) TSHRALDH1A1ACLYCYP2D6CYP2C19
SCHEMBL16160884 0.77 TSHR (0.44) TSHRALDH1A1ACLYCYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3328871-B1 CROSSLINKING MONOMERS WITH AT LEAST ONE ATOM OF SULPHUR KULZER & CO GMBH (DE) 2019-07-10 EP disclosed
WO-2017021297-A1 CROSSLINKING MONOMERS WITH AT LEAST ONE ATOM OF SULPHUR HERAEUS KULZER GMBH (DE) 2017-02-09 WO disclosed
US-20160363860-A1 RESIST COMPOSITION AND METHOD OF FORMING RESIST PATTERN TOKYO OHKA KOGYO CO., LTD. (JP) 2016-12-15 US disclosed
EP-2348096-A2 Synthesis of hybrid block copolymers and uses thereof Intezyne Technologies Inc. (US) 2011-07-27 EP disclosed
US-5117022-A Antitumor THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1992-05-26 US disclosed
WO-1990002131-A1 HYDROPHOBIC CIS-PLATINUM COMPLEXES EFFICIENTLY INCORPORATED INTO LIPOSOMES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1990-03-08 WO disclosed