SCHEMBL11435441

SCHEMBL11435441

Cc1ccccc1-c1nn[nH]c1CCCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G7 Q13093 1/20 0.40
▸ KDM4E B2RXH2 4/20 0.38
▸ POLB P06746 1/20 0.38
▸ GAA P10253 2/20 0.37
▸ DCUN1D1 Q96GG9 1/20 0.35
▸ RAB9A P51151 3/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ SENP8 Q96LD8 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ SENP6 Q9GZR1 1/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ CYP11B2 P19099 1/20 0.33
▸ MAPT P10636 3/20 0.33
▸ HPGD P15428 2/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ USP2 O75604 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
SCHEMBL11496531 0.87 GAA (0.38) KDM4EGAADCUN1D1RAB9ASMN1; SMN2
SCHEMBL29202958 0.85 GAA (0.37) KDM4EGAADCUN1D1RAB9ASMN1; SMN2
SCHEMBL29202957 0.84 GAA (0.36) KDM4EGAADCUN1D1HPGDALDH1A1
SCHEMBL29202956 0.84 GAA (0.36) KDM4EGAADCUN1D1HPGDALDH1A1
Alcohol SCHEMBL9348509 0.79 DPP4 (0.39) KDM4EGAADCUN1D1RAB9ASMN1; SMN2
SCHEMBL284418 0.79 HTR7 (0.44) GAADCUN1D1RAB9ASMN1; SMN2NPC1
SCHEMBL8583338 0.78 DPP4 (0.42) KDM4EGAADCUN1D1RAB9ASMN1; SMN2
SCHEMBL284040 0.77 GAA (0.36) POLBGAADCUN1D1RAB9ASMN1; SMN2
SCHEMBL8514983 0.77 DRD2 (0.36) GAATSHRNPSR1MEN1LMNA
SCHEMBL5434984 0.77 SIGMAR1 (0.39) KDM4EGAADCUN1D1SMN1; SMN2HTR7

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-4212754-A LIGANDS CONTAINING AMINE, HYDROXY, OXAZOLINE, AND IMIDAZOLINE GROUPS MOBIL OIL CORPORATION (US) 1980-07-15 — — US claimed
Send feedback