SCHEMBL8977641

SCHEMBL8977641

CCOC(=O)c1[nH]c2cccc(C(=O)O)c2c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 4/20 0.50
MAPT P10636 4/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
HPGD P15428 3/20 0.50
TUBB4A P04350 2/20 0.48
TUBB P07437 2/20 0.48
TUBA3C P0DPH7 2/20 0.48
TUBA1B P68363 2/20 0.48
TUBA4A P68366 2/20 0.48
TUBB4B P68371 2/20 0.48
TUBB3 Q13509 2/20 0.48
TUBB2A Q13885 2/20 0.48
TUBB8 Q3ZCM7 2/20 0.48
TUBA3E Q6PEY2 2/20 0.48
TUBA1A Q71U36 2/20 0.48
TUBA1C Q9BQE3 2/20 0.48
TUBB6 Q9BUF5 2/20 0.48
TUBB2B Q9BVA1 2/20 0.48

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
SCHEMBL7423969 0.82 TUBB4A (0.46) ALDH1A1KDM4EMAPTHPGDTUBB4A
SCHEMBL24074529 0.82 KDM4E (0.48) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL7566334 0.82 MAPT (0.53) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL2880010 0.78 KDM4E (0.66) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL28987827 0.77 HTR6 (0.46) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL6009595 0.77 TSHR (0.61) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL27324660 0.76 KDM4E (0.43) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL24073034 0.76 NPC1 (0.48) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL27408415 0.75 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTRAB9AHPGD
SCHEMBL27663999 0.74 TSHR (0.66) ALDH1A1MAPTRAB9AHPGDKMT2A

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-0708091-A2 Indoloylguanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-04-24 EP disclosed