SCHEMBL8966716

SCHEMBL8966716

CCCCCC(=O)NCCCSc1ccncc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.58
MAPT P10636 1/20 0.49
NAAA Q02083 1/20 0.49
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
FAAH O00519 3/20 0.47
PKM P14618 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
DNM1 Q05193 1/20 0.44
CASP2 P42575 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
SCHEMBL8967177 0.99 HPGD (0.56) HPGDMAPTNAAALMNAGAA
SCHEMBL8966750 0.99 HPGD (0.56) HPGDMAPTNAAALMNAGAA
SCHEMBL8966530 0.99 HPGD (0.56) HPGDMAPTNAAALMNAGAA
SCHEMBL8966714 0.99 HPGD (0.56) HPGDMAPTNAAALMNAGAA
SCHEMBL8966739 0.99 HPGD (0.56) HPGDMAPTNAAALMNAGAA
SCHEMBL8967192 0.99 HPGD (0.56) HPGDMAPTNAAALMNAGAA
SCHEMBL8966869 0.95 HPGD (0.55) HPGDMAPTNAAALMNAGAA
SCHEMBL8966708 0.95 HPGD (0.55) HPGDMAPTNAAALMNAGAA
SCHEMBL8966319 0.95 HPGD (0.55) HPGDMAPTNAAALMNAGAA
SCHEMBL9035609 0.95 HPGD (0.55) HPGDMAPTNAAALMNAGAA

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-5561147-A ANTIINFLAMMATORY AGENT, ANTIPYRETIC, ANALGESICS, ANTIALLERGENS, IMMUNOSUPPRESSANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-01 US disclosed
EP-0522606-B1 Pyridine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-04-03 EP disclosed
US-5457106-A Antiinflammatory agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-10 US disclosed
US-5389658-A Administering as antipyretic, antiinflammatory, analgesic, antiallergic, or immunosupressive agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-02-14 US disclosed
EP-0612729-A2 Pyridine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1994-08-31 EP disclosed
US-5246948-A Antiinflammatory, antipyretic, analgesic, antiallergic, immunosupressing or immunomodulating activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-21 US disclosed
EP-0522606-A2 Pyridine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-01-13 EP disclosed