SCHEMBL28638554

SCHEMBL28638554

Cc1cccc(COc2ccccc2C(=O)O)c1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.62
▸ MRGPRX4 Q96LA9 4/20 0.55
▸ HTT P42858 2/20 0.55
▸ TP53 P04637 1/20 0.55
▸ PTGER1 P34995 1/20 0.52
▸ APEX1 P27695 1/20 0.52
▸ FOLH1 Q04609 2/20 0.51
▸ KMT2A Q03164 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ AKR1B10 O60218 1/20 0.50
▸ TRPA1 O75762 1/20 0.50
▸ ABCB11 O95342 1/20 0.50
▸ DHFR P00374 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ MPO P05164 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CHRM1 P11229 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ AKR1B1 P15121 1/20 0.50

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
SCHEMBL5839145 0.89 ALDH1A1 (0.68) ALDH1A1MRGPRX4HTTTP53APEX1
SCHEMBL2451531 0.86 ALDH1A1 (0.59) ALDH1A1MRGPRX4HTTTP53PTGER1
SCHEMBL5291219 0.83 HTT (0.68) ALDH1A1MRGPRX4HTTTP53PTGER1
SCHEMBL5838506 0.81 TSHR (0.59) ALDH1A1MRGPRX4HTTTP53PTGER1
SCHEMBL1388012 0.80 ALDH1A1 (0.68) ALDH1A1MRGPRX4HTTTP53APEX1
SCHEMBL6447237 0.80 ALDH1A1 (0.68) ALDH1A1MRGPRX4HTTTP53APEX1
SCHEMBL28501298 0.80 APEX1 (0.67) ALDH1A1HTTTP53PTGER1APEX1
SCHEMBL26639282 0.79 ALDH1A1 (0.71) ALDH1A1MRGPRX4HTTTP53APEX1
SCHEMBL1169604 0.79 ALDH1A1 (0.66) ALDH1A1MRGPRX4HTTTP53PTGER1
SCHEMBL38459 0.78 ALDH1A1 (0.69) ALDH1A1MRGPRX4HTTTP53APEX1

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-113574353-A Paste composition for pressure measurement and pressure measurement method 富士胶片株式会社 2021-10-29 — — CN disclosed
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