SCHEMBL29907246

SCHEMBL29907246

CCCCCCCCCCCCC(O)COc1ccccc1-c1ccc(I)cc1.F[Sb-](F)(F)(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.43
ADRB1 P08588 1/20 0.43
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 3/20 0.37
TP53 P04637 2/20 0.37
TSHR P16473 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
ADRA1A P35348 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 3/20 0.37
LMNA P02545 2/20 0.36
AGTR1 P30556 1/20 0.36
PPARG P37231 2/20 0.35
ALOX15 P16050 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL21113565 1.00 ADRB2 (0.43) ADRB2ADRB1MEN1KMT2ACYP1A2
SCHEMBL30051714 0.95 ADRB2 (0.46) ADRB2ADRB1MEN1KMT2ACYP1A2
SCHEMBL2459089 0.95 ADRB2 (0.46) ADRB2ADRB1MEN1KMT2ACYP1A2
SCHEMBL29408463 0.89 ADRB2 (0.43) ADRB2ADRB1MEN1KMT2ACYP1A2
SCHEMBL3460248 0.88 ADRB2 (0.46) ADRB2ADRB1MEN1KMT2ACYP1A2
SCHEMBL23092155 0.84 PPARG (0.34) CYP1A2ALDH1A1CYP2C19KDM4EPPARG
SCHEMBL20838844 0.83 KDM4E (0.45) ADRB2MEN1KMT2ACYP1A2TP53
Ammonia Solution, Strong SCHEMBL29006406 0.82 KDM4E (0.44) ADRB2MEN1KMT2ACYP1A2TP53
SCHEMBL29133497 0.82 KDM4E (0.44) ADRB2MEN1KMT2ACYP1A2TP53
SCHEMBL4455828 0.81 KMT2A (0.41) ADRB2ADRB1MEN1KMT2ACYP1A2

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
CN-115279518-A Composition comprising flaky transition metal particles 巴斯夫欧洲公司 2022-11-01 CN disclosed