SCHEMBL8936334

SCHEMBL8936334

Nc1ccc(C(=O)O)c(-c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.51
ADORA1 P30542 2/20 0.51
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
RORB Q92753 7/20 0.49
KMO O15229 2/20 0.49
XDH P47989 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PIN1 Q13526 1/20 0.47
PARP1 P09874 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
RORC P51449 1/20 0.44

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
SCHEMBL7824222 0.80 KMO (0.50) ADORA2AADORA1ALDH1A1KDM4ERORB
SCHEMBL28149747 0.79 GABRP (0.55) ALDH1A1KDM4EHPGDSMN1; SMN2MEN1
SCHEMBL473595 0.78 ALDH1A1 (0.59) ALDH1A1KDM4ERORBKMOXDH
SCHEMBL14252238 0.75 RXRA (0.56) ALDH1A1KDM4EHPGDHSD17B10KMO
SCHEMBL6258242 0.75 RORB (0.69) ADORA2AADORA1ALDH1A1KDM4ERORB
SCHEMBL30279482 0.74 KDM4E (0.64) ALDH1A1KDM4EHPGDHSD17B10KMO
SCHEMBL22497505 0.74 KDM4E (0.64) ALDH1A1KDM4EHPGDHSD17B10KMO
SCHEMBL11386215 0.74 ALDH1A1 (0.48) ADORA2AADORA1ALDH1A1KDM4ERORB
SCHEMBL272323 0.74 RXRA (0.55) ALDH1A1KDM4EHPGDHSD17B10KMO
SCHEMBL3752351 0.74 KEAP1 (0.50) ADORA2AADORA1ALDH1A1KDM4ERORB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5521171-A COPPER COMPLEX WITH HETEROCYCLIC CARBOXYLIC ACID SORENSON JOHN R J (US) 1996-05-28 US claimed
US-5541174-A COORDINATION COMPOUND OF COPPER AND AN AMINO ACID SORENSON JOHN R J (US) 1996-07-30 US disclosed
US-5521171-A COPPER COMPLEX WITH HETEROCYCLIC CARBOXYLIC ACID SORENSON JOHN R J (US) 1996-05-28 US disclosed
US-5216021-A Copper coordination compounds SORENSON JOHN R J (US) 1993-06-01 US disclosed
US-5082834-A Antiarthritic agents, coordination compounds of copper and aci d salicylates J.R.J. SORENSON CORP. 1992-01-21 US disclosed
US-4440754-A COPPER COORDINATION COMPOUNDS J.R.J. SORENSON CORP. 1984-04-03 US disclosed
US-4221785-A COORDINATION COMPOUND OF A COPPER SALT AND A SALICYLIC ACID OR ITS DERIVATIVE J.R.J. SORENSON CORP. 1980-09-09 US disclosed