SCHEMBL7415485

SCHEMBL7415485

COC(=O)CCCc1ccc(C)cc1.Cc1ccc(CCCC(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
HSD17B10 Q99714 1/20 0.54
HDAC3 O15379 1/20 0.53
MAPK1 P28482 1/20 0.53
ADRA1A P35348 1/20 0.53
HDAC4 P56524 1/20 0.53
SLC6A3 Q01959 1/20 0.53
HDAC1 Q13547 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
RXRA P19793 1/20 0.53
RXRB P28702 1/20 0.53
RXRG P48443 1/20 0.53

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
SCHEMBL1928824 0.93 PLAAT3 (0.51) TSHRFFAR1PLAAT3PLAAT5PLAAT2
SCHEMBL18657080 0.88 CYP4Z1 (0.49) TSHRPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL764952 0.88 SMN1; SMN2 (0.67) TSHRHSD17B10HDAC3MAPK1ADRA1A
SCHEMBL18373121 0.87 HPGD (0.50) TSHRHDAC8PLAAT3PLAAT5PLAAT2
SCHEMBL16672973 0.87 HPGD (0.50) TSHRHDAC8PLAAT3PLAAT5PLAAT2
SCHEMBL25172929 0.86 HSD17B10 (0.65) TSHRHSD17B10HDAC3MAPK1ADRA1A
SCHEMBL22921868 0.86 TSHR (0.58) TSHRHSD17B10CYP4Z1CYP4F11CYP4F12
SCHEMBL31742285 0.84 TSHR (0.53) TSHRHSD17B10HDAC3MAPK1ADRA1A
SCHEMBL24837831 0.83 ALDH1A1 (0.61) TSHRHSD17B10HDAC3MAPK1ADRA1A
SCHEMBL11480209 0.83 CYP4F2 (0.64) TSHRHSD17B10HDAC3MAPK1ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002022113-A2 RETINOIC ACID RECEPTOR ANTAGONISTS AS PROMOTERS OF ANGIOGENESIS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-03-21 WO disclosed
EP-1173061-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF HYPERPROLIFERATIVE DISEASES Bristol-Myers Squibb Company (US) 2002-01-23 EP disclosed
WO-2000064260-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF HYPERPROLIFERATIVE DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2000-11-02 WO disclosed