SCHEMBL8725168

SCHEMBL8725168

CC(C)(C)CC(C(=O)O)c1cccc(N(Cc2ccccc2)Cc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CRHBP P24387 1/20 0.52
▸ CRHR2 Q13324 1/20 0.52
▸ PTPN1 P18031 3/20 0.45
▸ ITGB1 P05556 2/20 0.45
▸ ITGA4 P13612 2/20 0.45
▸ NR3C1 P04150 1/20 0.43
▸ MTNR1A P48039 1/20 0.40
▸ MTNR1B P49286 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ CETP P11597 6/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL8725080 0.88 CRHBP (0.48) CRHBPCRHR2PTPN1ITGB1ITGA4
SCHEMBL7405135 0.77 CRHBP (0.52) CRHBPCRHR2PTPN1NR3C1MTNR1A
SCHEMBL681077 0.77 CYP2C19 (0.52) —
SCHEMBL681512 0.77 CYP2C19 (0.52) —
SCHEMBL679845 0.77 CYP2C19 (0.52) —
SCHEMBL2849432 0.75 KYNU (0.48) KMT2AMEN1TSHR
SCHEMBL12774503 0.74 CRHBP (0.54) CRHBPCRHR2PTPN1NR3C1MTNR1A
SCHEMBL5369549 0.73 CRHBP (0.48) CRHBPCRHR2PTPN1ITGB1ITGA4
SCHEMBL7403331 0.73 CRHBP (0.48) CRHBPCRHR2PTPN1NR3C1MTNR1A
SCHEMBL8147928 0.72 CRHBP (0.56) CRHBPCRHR2PTPN1NR3C1MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5852195-A Pyranone compounds useful to treat retroviral infections PHARMACIA & UPJOHN COMPANY (US) 1998-12-22 — — US disclosed
Send feedback