SCHEMBL7302348

SCHEMBL7302348

Cc1cc(C)c(C2CC3CCC(C2)N3)c(C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.36
METAP2 P50579 1/20 0.34
HTR2A P28223 1/20 0.34
KCNH2 Q12809 1/20 0.34
CHRNA7 P36544 2/20 0.33
MEN1 O00255 1/20 0.33
GAPDH P04406 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CSNK2A1 P68400 1/20 0.33
P2RY14 Q15391 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
NOTUM Q6P988 3/20 0.33
ATM Q13315 1/20 0.33
NR2F2 P24468 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
SCHEMBL7301445 0.79 KDM4E (0.45) KDM4EMAPTMEN1KMT2AP2RY14
SCHEMBL7267112 0.78 HTR3E (0.45) KDM4EMAPTCHRNA7MEN1KMT2A
SCHEMBL7273067 0.78 HTR3E (0.45) KDM4EMAPTCHRNA7MEN1KMT2A
Hydrochloric Acid SCHEMBL7301304 0.78 KDM4E (0.44) KDM4EMAPTMEN1KMT2AP2RY14
SCHEMBL7295880 0.73 AKR1C4 (0.44) CHRNA7ALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL7324702 0.73 KDM4E (0.37) KDM4EMAPTMETAP2MEN1GAPDH
SCHEMBL27536215 0.71 ACMSD (0.46) KDM4EMAPTCSNK2A1NOTUM
SCHEMBL27516462 0.69 ACMSD (0.47) KDM4EMAPTKMT2ATDP1L3MBTL1
SCHEMBL27866187 0.68 MAPT (0.45) KDM4EMAPTPOLBNOTUMALDH1A1
SCHEMBL28060311 0.66 MAPT (0.39) MAPTKMT2ANOTUMALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5252570-A Amidino and guanidino derivatives B.I. ITALIA (IT) 1993-10-12 US disclosed
EP-0351385-A2 New amidino and guanidino derivatives BOEHRINGER INGELHEIM ITALIA S.p.A. (IT) 1990-01-17 EP disclosed