SCHEMBL27478722

SCHEMBL27478722

Cc1cc(O)c(C(=O)N[C@@H](C(N)=O)c2ccc(O)cc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 5/20 0.47
▸ TACR3 P29371 5/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 4/20 0.35
▸ ALDH1A1 P00352 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ TAS1R3 Q7RTX0 1/20 0.33
▸ TAS1R1 Q7RTX1 1/20 0.33
▸ ANPEP P15144 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ATM Q13315 1/20 0.33

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
SCHEMBL3727429 1.00 SYK (0.47) SYKTACR3CNR1CNR2ALDH1A1
SCHEMBL10332798 0.90 TACR3 (0.50) SYKTACR3CNR1CNR2ALDH1A1
SCHEMBL3727427 0.88 TACR3 (0.40) SYKTACR3ALDH1A1TAS1R3TAS1R1
SCHEMBL8121152 0.88 TACR3 (0.40) SYKTACR3ALDH1A1TAS1R3TAS1R1
SCHEMBL9995045 0.83 ALDH1A1 (0.47) ALDH1A1
SCHEMBL18633949 0.81 ALDH1A1 (0.42) TACR3ALDH1A1
SCHEMBL27763021 0.80 TACR3 (0.34) SYKTACR3ALDH1A1GFERTAS1R3
SCHEMBL8621358 0.80 TACR3 (0.34) SYKTACR3ALDH1A1GFERTAS1R3
SCHEMBL10403428 0.79 TACR3 (0.33) SYKTACR3ALDH1A1GFERTAS1R3
SCHEMBL10403431 0.79 TACR3 (0.33) SYKTACR3ALDH1A1GFERTAS1R3

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
CN-1159809-A Process for making quinolonyl lactam antimicrobials and novel intermediate compounds PROCTER & GAMBLE (US) 1997-09-17 — — CN disclosed
Send feedback