SCHEMBL28453310

SCHEMBL28453310

[Pd+2].[Pd+2].[Pd+2].[Pd+2].c1ccc([SnH](c2ccccc2)c2ccccc2)cc1.c1ccc([SnH](c2ccccc2)c2ccccc2)cc1.c1ccc([SnH](c2ccccc2)c2ccccc2)cc1.c1ccc([SnH](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.38
▸ TSHR P16473 6/20 0.35
▸ DAO P14920 1/20 0.35
▸ NAPRT Q6XQN6 1/20 0.35
▸ TDP1 Q9NUW8 5/20 0.33
▸ ALOX12 P18054 3/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ CA12 O43570 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ CA3 P07451 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ HSD17B10 Q99714 3/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 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
SCHEMBL20441 0.96 ALDH1A1 (0.40) ALDH1A1TSHRDAONAPRTTDP1
SCHEMBL10938089 0.92 ALDH1A1 (0.38) ALDH1A1TSHRDAONAPRTTDP1
Hydrochloric Acid SCHEMBL8989508 0.92 ALDH1A1 (0.38) ALDH1A1TSHRDAONAPRTTDP1
SCHEMBL9064900 0.92 ALDH1A1 (0.38) ALDH1A1TSHRDAONAPRTTDP1
SCHEMBL29097667 0.86 TSHR (0.37) ALDH1A1TSHRDAONAPRTTDP1
SCHEMBL20953824 0.78 TP53 (0.39) ALDH1A1TSHRALOX12LMNAACHE
Acetic Acid SCHEMBL28643065 0.76 TSHR (0.43) ALDH1A1TSHRDAONAPRTTDP1
Benzoic Acid SCHEMBL28637225 0.76 TSHR (0.74) ALDH1A1TSHRDAONAPRTTDP1
Hydrochloric Acid SCHEMBL2673096 0.74 DAO (0.36) ALDH1A1TSHRDAONAPRTLMNA
SCHEMBL7044578 0.74 LTA4H (0.60) TSHRCA1CA2CA9LTA4H

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-111574354-A Biphenylacetic acid and preparation method thereof 安徽鼎旺医药有限公司 2020-08-25 — — CN disclosed
Send feedback