SCHEMBL9603365

SCHEMBL9603365

O=C(O)CCCC(CCC(=O)O)NC(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
LMNA P02545 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CTRB1 P17538 2/20 0.49
CTSG P08311 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
HPGD P15428 1/20 0.45
MME P08473 1/20 0.43
PIN1 Q13526 1/20 0.43
TAS1R3 Q7RTX0 2/20 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
SCHEMBL10941783 0.84 TDP1 (0.50) TDP1LMNAHSD17B10CTRB1CTSG
SCHEMBL10941795 0.84 TDP1 (0.50) TDP1LMNAHSD17B10CTRB1CTSG
SCHEMBL16155818 0.81 CA2 (0.56) TDP1LMNAHSD17B10HPGDCA2
SCHEMBL16149959 0.81 CA2 (0.56) TDP1LMNAHSD17B10HPGDCA2
SCHEMBL5855561 0.81 CA2 (0.56) TDP1LMNAHSD17B10HPGDCA2
SCHEMBL27708342 0.79 ADAMTS5 (0.54) TDP1LMNAHSD17B10MMEADAMTS4
SCHEMBL5858324 0.78 LMNA (0.54) TDP1LMNAHSD17B10HPGDADAMTS4
SCHEMBL16155631 0.78 LMNA (0.51) TDP1LMNAHSD17B10HDAC3HDAC4
SCHEMBL22747924 0.77 PRSS1 (0.59) CTRB1CTSGTAS1R3TAS1R1
SCHEMBL165896 0.77 PRSS1 (0.61) CTRB1CTSGTAS1R3TAS1R1

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
WO-1993005046-A1 AMINODIESTERS OF RAPAMYCIN AMERICAN HOME PRODUCTS CORPORATION (US) 1993-03-18 WO disclosed
US-5162333-A Treating transplantation rejection, autoimmune diseases, antiinflammatory AMERICAN HOME PRODUCTS CORPORATION (US) 1992-11-10 US disclosed