SCHEMBL10717152

SCHEMBL10717152

CCCCCCCc1ccnc(-c2ccc(C(=O)O)cc2)n1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARB P10826 11/20 0.61
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 1/20 0.57
RARA P10276 1/20 0.57
MAPT P10636 1/20 0.57
MTOR P42345 1/20 0.57
KMT2A Q03164 1/20 0.57
NPC1 O15118 1/20 0.52
NFKB1 P19838 1/20 0.52
RAB9A P51151 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
PLA2G4B P0C869 1/20 0.47
PTPN11 Q06124 1/20 0.45

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
SCHEMBL11615964 0.88 MAP4K4 (0.49) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL11562935 0.88 MAP4K4 (0.49) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL11561720 0.88 MAP4K4 (0.49) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL11565431 0.86 MAP4K4 (0.50) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL11562618 0.85 LMNA (0.46) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL8080787 0.85 NPC1 (0.49) RARBMEN1ALDH1A1MAPTKMT2A
SCHEMBL8075871 0.85 NPC1 (0.49) RARBMEN1ALDH1A1MAPTKMT2A
SCHEMBL8180289 0.85 NPC1 (0.49) RARBMEN1ALDH1A1MAPTKMT2A
SCHEMBL11298035 0.84 KCNH2 (0.54) RARBMEN1ALDH1A1MAPTKMT2A
SCHEMBL7468603 0.83 KCNH2 (0.51) MEN1MAPTKMT2ASMN1; SMN2TP53

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
JP-62081373-A None JP disclosed
JP-S6281373-A LIQUID CRYSTAL COMPOUND ALPS ELECTRIC CO LTD 1987-04-14 JP disclosed
US-4180475-A POSITIVE ANISOTROPY OF DIELECTRIC CONSTANTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1979-12-25 US disclosed
US-4145414-A ANTIVIRAL, IMMUNOSUPPRESSIVE, ANTILEUKEMIA THE UPJOHN COMPANY (US) 1979-03-20 US disclosed
US-4066570-A OPTICAL CELLS, NEMATIC MIXTURES, LIQUID CRYSTALS HOFFMAN-LA ROCHE INC. (US) 1978-01-03 US disclosed
US-4062798-A NEMATIC CRYSTALS HOFFMANN-LA ROCHE INC. (US) 1977-12-13 US disclosed
US-3997536-A LIQUID CRYSTALS HOFFMANN-LA ROCHE INC. (US) 1976-12-14 US disclosed