SCHEMBL30859520

SCHEMBL30859520

CC(C)(C)c1ccc2c(c1)C(C)(C)CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.40
RXRB P28702 4/20 0.40
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RXRG P48443 4/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARA Q07869 1/20 0.33
KIF11 P52732 1/20 0.33
TSHR P16473 1/20 0.32
KDM1A O60341 1/20 0.32

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
SCHEMBL6073558 1.00 RXRA (0.40) RXRARXRBALDH1A1HPGDALOX15
SCHEMBL30859519 1.00 RXRA (0.40) RXRARXRBALDH1A1HPGDALOX15
SCHEMBL17563594 0.81 CYP11B2 (0.40) RXRARXRBALDH1A1HPGDALOX15
SCHEMBL17563596 0.81 CYP11B2 (0.40) RXRARXRBALDH1A1HPGDALOX15
SCHEMBL17563595 0.81 CYP11B2 (0.40) RXRARXRBALDH1A1HPGDALOX15
SCHEMBL24401065 0.79 KIF11 (0.36) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL24648694 0.75 HSPA9 (0.52) RXRARXRBALDH1A1HPGDALOX15
SCHEMBL25100748 0.74 MAP3K14 (0.36) RXRARXRBALDH1A1HPGDALOX15
SCHEMBL22589962 0.74 ESR1 (0.35) RXRARXRBALDH1A1RXRGHTR2A
SCHEMBL9770689 0.74 CYP3A4 (0.41) RXRARXRBALDH1A1ALOX15TDP1

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-117486697-A Synthetic method of salix musk 安徽金禾化学材料研究所有限公司 2024-02-02 CN claimed
CN-117486697-A Synthetic method of salix musk 安徽金禾化学材料研究所有限公司 2024-02-02 CN disclosed
CN-117486697-A Synthetic method of salix musk 安徽金禾化学材料研究所有限公司 2024-02-02 CN disclosed