SCHEMBL19254798

SCHEMBL19254798

CCC(C)c1cccc(C(=O)O)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 1/20 0.42
POLB P06746 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SELPLG Q14242 1/20 0.39
ALOX15 P16050 1/20 0.39
MYC P01106 1/20 0.39
PKM P14618 1/20 0.39
PTGER1 P34995 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
AKR1B10 O60218 1/20 0.38
TRPA1 O75762 1/20 0.38
ABCB11 O95342 1/20 0.38
DHFR P00374 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL21961149 0.84 TSHR (0.57) TSHRALDH1A1KDM4EHSD17B10HPGD
SCHEMBL1904536 0.84 TSHR (0.57) TSHRALDH1A1KDM4EHSD17B10HPGD
SCHEMBL8878989 0.83 TSHR (0.44) TSHRALDH1A1KDM4EHPGDMEN1
SCHEMBL8147783 0.83 ALDH1A1 (0.50) TSHRALDH1A1KDM4EMEN1KMT2A
SCHEMBL39201 0.83 TSHR (0.52) TSHRALDH1A1KDM4EHSD17B10HPGD
SCHEMBL1353325 0.83 TSHR (0.47) TSHRALDH1A1KDM4EHSD17B10HPGD
SCHEMBL14322500 0.83 TSHR (0.47) TSHRALDH1A1KDM4EHSD17B10HPGD
SCHEMBL27922019 0.82 TSHR (0.49) TSHRALDH1A1KDM4EHSD17B10HPGD
SCHEMBL1535968 0.82 TSHR (0.53) TSHRALDH1A1KDM4EHSD17B10HPGD
SCHEMBL29066790 0.81 TSHR (0.46) TSHRALDH1A1KDM4EHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110655456-B Method for preparing chiral alkyl compound by asymmetric catalytic hydrogenation of E/Z mixed or single-configuration tri-substituted olefin 浙江大学 2020-11-24 CN disclosed
CN-110655456-A Method for preparing chiral alkyl compound by asymmetric catalytic hydrogenation of E/Z mixed or single-configuration tri-substituted olefin 浙江大学 2020-01-07 CN disclosed
US-9732078-B2 Therapeutic use of imidazopyridine derivatives SANOFI (FR) 2017-08-15 US disclosed