SCHEMBL8553607

SCHEMBL8553607

CC(C)Cn1ccc2ccc(C(=O)O)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
B3GNT2 Q9NY97 1/20 0.50
MCL1 Q07820 1/20 0.50
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49
APOBEC3A P31941 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
HTR2C P28335 5/20 0.47
HTR2A P28223 4/20 0.47
PLA2G4A P47712 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44

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
SCHEMBL5066699 0.88 KDM4E (0.51) B3GNT2KDM4EHTR2CHTR2APLA2G4A
SCHEMBL30444101 0.84 MCL1 (0.50) B3GNT2MCL1KDM4EALDH1A1POLB
SCHEMBL29343021 0.84 KDM4E (0.69) KDM4EALDH1A1POLBHPGDAPOBEC3A
SCHEMBL28246496 0.84 MCL1 (0.54) MCL1KDM4EALDH1A1POLBHPGD
SCHEMBL30622502 0.83 MCL1 (0.53) MCL1KDM4EALDH1A1POLBHPGD
SCHEMBL5387046 0.83 MCL1 (0.53) MCL1KDM4EALDH1A1POLBHPGD
SCHEMBL5981752 0.80 MCL1 (0.57) MCL1KDM4EALDH1A1POLBHPGD
SCHEMBL3785550 0.80 MCL1 (0.51) MCL1KDM4EALDH1A1POLBHPGD
SCHEMBL11974988 0.79 KDM4E (0.48) KDM4EALDH1A1POLBHPGDAPOBEC3A
SCHEMBL1664172 0.78 MCL1 (0.55) MCL1KDM4EALDH1A1POLBHPGD

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
WO-2024151519-A2 PPARG MODULATORS UNIVERSITY OF FLORIDA RESEARCH FOUNDATIN, INCORPORATED (US) 2024-07-18 WO disclosed
EP-0820441-A1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-01-28 EP disclosed