SCHEMBL10697566

SCHEMBL10697566

CC(CCc1ccccc1)C(C)CCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
POLB P06746 1/20 0.50
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP2D6 P10635 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
CASP1 P29466 1/20 0.48
HSD17B10 Q99714 1/20 0.48
OPRK1 P41145 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL28757681 0.91 TRPA1 (0.47) TSHRPOLBALDH1A1HPGDMEN1
SCHEMBL6569937 0.90 TSHR (0.48) TSHRPOLBALDH1A1HPGDMEN1
SCHEMBL21339840 0.89 HTR2A (0.54) TSHRPOLBCYP1A2CYP2C19SMN1; SMN2
SCHEMBL31126411 0.86 TSHR (0.50) TSHRPOLBHPGDMEN1KMT2A
SCHEMBL23531244 0.85 TSHR (0.48) TSHRPOLBALDH1A1HPGDMEN1
SCHEMBL919366 0.85 TSHR (0.48) TSHRPOLBALDH1A1HPGDMEN1
SCHEMBL17592400 0.84 ACP3 (0.46) TSHRPOLBALDH1A1HPGDMEN1
SCHEMBL3079112 0.84 ACP3 (0.46) TSHRPOLBALDH1A1HPGDMEN1
SCHEMBL4785593 0.84 TSHR (0.52) TSHRPOLBALDH1A1HPGDMEN1
SCHEMBL167715 0.84 AOC3 (0.55) TSHRPOLBALDH1A1HPGDMEN1

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-0129479-A1 Modified copolymers from ethylen and at least one alpha-olefin and process for its preparation Société Chimique des Charbonnages S.A. (FR) 1984-12-27 EP claimed
EP-0273274-A2 Degradation of polyethylene by means of agents generating free radicals Elf Atochem Deutschland GmbH (DE) 1988-07-06 EP disclosed
EP-0129479-A1 Modified copolymers from ethylen and at least one alpha-olefin and process for its preparation Société Chimique des Charbonnages S.A. (FR) 1984-12-27 EP disclosed
US-4027080-A Crosslinking of polyolefines PEROXID-CHEMIE GMBH (DT) 1977-05-31 US disclosed