SCHEMBL23644530

SCHEMBL23644530

CC(C)c1cccc(C(C)C)c1/N=C/c1cccc(-c2ccccc2)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
LMNA P02545 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
HIF1A Q16665 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB2 P47870 2/20 0.41
FAAH O00519 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
TSHR P16473 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2C P28335 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
HTR2B P41595 1/20 0.41

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
SCHEMBL18489497 1.00 HPGD (0.41) HPGDLMNACYP1A2CYP3A4HIF1A
SCHEMBL23039619 0.89 MAPT (0.46) HPGDLMNACYP1A2CYP3A4HIF1A
SCHEMBL23039620 0.89 MAPT (0.46) HPGDLMNACYP1A2CYP3A4HIF1A
SCHEMBL5838553 0.83 AKR1B1 (0.38) HPGDLMNACYP1A2CYP3A4HIF1A
SCHEMBL5838557 0.83 AKR1B1 (0.38) HPGDLMNACYP1A2CYP3A4HIF1A
SCHEMBL23039606 0.82 ALDH1A1 (0.50) HPGDLMNACA1CA2TSHR
SCHEMBL23039607 0.82 ALDH1A1 (0.50) HPGDLMNACA1CA2TSHR
SCHEMBL1644446 0.82 G6PD (0.38) HPGDLMNACYP1A2CYP3A4HIF1A
SCHEMBL1644449 0.82 G6PD (0.38) HPGDLMNACYP1A2CYP3A4HIF1A
SCHEMBL18525565 0.82 KMT2A (0.42) HPGDLMNACYP1A2CYP3A4HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3135699-B1 CATALYST COMPONENT FOR PROPYLENE POLYMERIZATION, PREPARATION METHOD THEREFOR AND CATALYST HAVING SAME CHINA PETROLEUM & CHEM CORP (CN) 2021-07-21 EP claimed