SCHEMBL29034394

SCHEMBL29034394

O=C(C1=CCC(O)(c2ccccc2)C=C1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SRD5A2 P31213 1/20 0.35
VNN1 O95497 1/20 0.35
HPGDS O60760 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
AKR1C3 P42330 1/20 0.33
GRIN2B Q13224 1/20 0.33
HDAC4 P56524 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2C9 P11712 1/20 0.33
LMNA P02545 3/20 0.32
F2 P00734 1/20 0.32
MAPT P10636 3/20 0.32
HPGD P15428 2/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 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
SCHEMBL27516779 0.85 CCR2 (0.36) ALDH1A1KMT2AHDAC4LMNAALOX15
SCHEMBL2454243 0.83 ALDH1A1 (0.41) ALDH1A1L3MBTL1ATMTDP1SRD5A2
SCHEMBL136599 0.82 ALDH1A1 (0.43) ALDH1A1L3MBTL1ATMTDP1SRD5A2
SCHEMBL27893123 0.81 ALDH1A1 (0.39) ALDH1A1L3MBTL1ATMTDP1SRD5A2
SCHEMBL5677233 0.79 ALDH1A1 (0.41) ALDH1A1L3MBTL1ATMTDP1SRD5A2
SCHEMBL4035522 0.79 ALDH1A1 (0.41) ALDH1A1L3MBTL1ATMTDP1SRD5A2
SCHEMBL19179591 0.79 ALDH1A1 (0.41) ALDH1A1L3MBTL1ATMTDP1SRD5A2
SCHEMBL27480528 0.79 ALDH1A1 (0.41) ALDH1A1L3MBTL1ATMTDP1SRD5A2
SCHEMBL4959091 0.79 ALDH1A1 (0.41) ALDH1A1L3MBTL1ATMTDP1SRD5A2
SCHEMBL27557280 0.79 ALDH1A1 (0.41) ALDH1A1L3MBTL1ATMTDP1SRD5A2

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-116456953-A Water-in-oil type emulsified cosmetic 株式会社资生堂 2023-07-18 CN disclosed