SCHEMBL31353019

SCHEMBL31353019

O=C(C[C@H](O)/C=C/c1ccccc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
CYP1A2 P05177 1/20 0.46
MAPT P10636 4/20 0.46
LMNA P02545 3/20 0.46
PLIN1 O60240 1/20 0.46
BCHE P06276 1/20 0.46
TNFRSF1A P19438 1/20 0.46
ACHE P22303 1/20 0.46
MAOB P27338 1/20 0.46
RECQL P46063 1/20 0.46
PLIN5 Q00G26 1/20 0.46
CYP1B1 Q16678 1/20 0.46
ABHD5 Q8WTS1 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
NR4A2 P43354 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL31353020 0.89 MAPT (0.53) TSHRMAPTLMNARECQLCYP1B1
SCHEMBL31353023 0.89 CYP1B1 (0.53) MAPTLMNACYP1B1L3MBTL1KMT2A
SCHEMBL31353022 0.89 CYP1B1 (0.53) MAPTMAOBCYP1B1L3MBTL1KMT2A
SCHEMBL31353021 0.85 MEN1 (0.57) MAPTBCHETNFRSF1AMAOBCYP1B1
SCHEMBL8885838 0.84 PAM (0.50) CYP1A2MAPTLMNAPLIN1BCHE
SCHEMBL8885832 0.84 PAM (0.50) CYP1A2MAPTLMNAPLIN1BCHE
SCHEMBL29110171 0.80 TSHR (0.47) TSHRCYP1A2MAPTLMNAPLIN1
SCHEMBL29110168 0.80 TSHR (0.47) TSHRCYP1A2MAPTLMNAPLIN1
SCHEMBL2143453 0.79 TSHR (0.50) TSHRCYP1A2MAPTLMNAPLIN1
SCHEMBL28492164 0.79 ALDH1A1 (0.60) TSHRCYP1A2MAPTLMNAPLIN1

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-119390715-A Method for catalyzing chiral boron addition reaction of alpha, beta, gamma, delta-unsaturated ketone by nano composite microsphere loaded copper material 湖北工程学院 2025-02-07 CN disclosed