SCHEMBL9502841

SCHEMBL9502841

CCCCc1ccc2c(=O)cc(OC(=O)O)[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 3/20 0.46
CTSL P07711 3/20 0.46
TUBB4A P04350 5/20 0.43
TUBB P07437 5/20 0.43
TUBA3C P0DPH7 5/20 0.43
TUBA1B P68363 5/20 0.43
TUBA4A P68366 5/20 0.43
TUBB4B P68371 5/20 0.43
TUBB3 Q13509 5/20 0.43
TUBB2A Q13885 5/20 0.43
TUBB8 Q3ZCM7 5/20 0.43
TUBA3E Q6PEY2 5/20 0.43
TUBA1A Q71U36 5/20 0.43
TUBA1C Q9BQE3 5/20 0.43
TUBB6 Q9BUF5 5/20 0.43
TUBB2B Q9BVA1 5/20 0.43
TUBB1 Q9H4B7 5/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL9501058 0.94 GPR84 (0.41) CTSVCTSLTUBB4ATUBBTUBA3C
SCHEMBL9452266 0.82 KDM4E (0.56) CTSVCTSLLMNACYP1A2ALDH1A1
SCHEMBL9452299 0.78 KDM4E (0.46) CTSVCTSLTUBB4ATUBBTUBA3C
SCHEMBL9502884 0.75 EIF4A3 (0.50) LMNAHPGD
SCHEMBL18611883 0.74 KIF11 (0.55) CTSVCTSLTUBB4ATUBBTUBA3C
SCHEMBL9502885 0.73 PDE2A (0.42) CTSVCTSLALDH1A1HPGDHSD17B10
SCHEMBL10809192 0.73 KDM4E (0.58) CTSVCTSLTUBB4ATUBBTUBA3C
SCHEMBL9452205 0.73 KDM4E (0.58) LMNACYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL9499282 0.72 CCNB2 (0.38) LMNACYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL11260822 0.71 ALDH1A1 (0.36) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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
EP-0303387-B1 KYNURENIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISORDERS MERCK SHARP & DOHME LTD. (GB) 1993-04-21 EP claimed