SCHEMBL29525901

SCHEMBL29525901

CC1(C)CC(C)(c2ccc(O)cc2)Oc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
LMNA P02545 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 4/20 0.43
GPR55 Q9Y2T6 4/20 0.43
TDP1 Q9NUW8 3/20 0.43
ESR1 P03372 3/20 0.43
ESR2 Q92731 3/20 0.43
TYMS P04818 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
FTO Q9C0B1 3/20 0.38
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
HIF1A Q16665 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
SCHEMBL1837301 1.00 MEN1 (0.43) MEN1LMNAKMT2AMAPTGPR55
SCHEMBL12120382 0.87 CFTR (0.37) MEN1LMNAKMT2AALDH1A1TP53
SCHEMBL1843827 0.86 ALDH1A1 (0.34) MEN1LMNAKMT2AMAPTGPR55
SCHEMBL7738828 0.81 LMNA (0.51) MEN1LMNAKMT2AMAPTGPR55
SCHEMBL11055455 0.81 FTO (0.33) ALDH1A1FTO
SCHEMBL1838042 0.81 FTO (0.47) MEN1LMNAKMT2AMAPTTDP1
SCHEMBL7738835 0.81 FTO (0.39) MEN1LMNAKMT2AMAPTGPR55
SCHEMBL7751772 0.80 DHFR (0.40) MEN1LMNAKMT2AMAPTTDP1
SCHEMBL5524120 0.79 MEN1 (0.38) MEN1LMNAKMT2AMAPTGPR55
SCHEMBL13450786 0.76 FTO (0.38) ALDH1A1TP53TSHRFTO

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
CN-114269713-A Process for the preparation of bisphenol A (BPA) in the presence of hydroxyacetone 科思创知识产权两合公司 2022-04-01 CN claimed
CN-114269713-A Process for the preparation of bisphenol A (BPA) in the presence of hydroxyacetone 科思创知识产权两合公司 2022-04-01 CN disclosed