SCHEMBL6952030

SCHEMBL6952030

CC(C)COC(=O)c1[c]cccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
TSHR P16473 1/20 0.59
PLA2G1B P04054 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
P2RX4 Q99571 1/20 0.41
CACNA1F O60840 1/20 0.41

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
SCHEMBL5667094 0.84 PPARG (0.46) ALDH1A1TSHRHTTTDP1KDM4E
SCHEMBL129333 0.81 TSHR (0.55) ALDH1A1TSHRSMN1; SMN2MAPTNPC1
SCHEMBL6950100 0.81 ALDH1A1 (0.59) ALDH1A1TSHRPLA2G1BATG4BSMN1; SMN2
SCHEMBL6568756 0.80 ALDH1A1 (0.42) ALDH1A1TSHRPLA2G1BATG4BSMN1; SMN2
SCHEMBL8673620 0.79 TSHR (0.53) ALDH1A1TSHRSMN1; SMN2MAPTNPC1
SCHEMBL10889261 0.79 KMT2A (0.38) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL3716825 0.79 TDP1 (0.36) ALDH1A1TSHRNPC1TDP1KMT2A
SCHEMBL10497297 0.78 KMT2A (0.44) ALDH1A1TSHRMEN1KMT2AATM
SCHEMBL130905 0.78 ALDH1A1 (0.58) ALDH1A1TSHRSMN1; SMN2MAPTTDP1
SCHEMBL6950073 0.78 ALDH1A1 (0.47) ALDH1A1TSHRPLA2G1BATG4BMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0936218-B1 BENZIMIDAZOLE DERIVATIVES MOCHIDA PHARM CO LTD (JP) 2003-04-02 EP disclosed
US-6387938-B1 Benzimidazole derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-05-14 US disclosed
US-6020426-A BLOCK OR GRAFT COPOLYMER FUJI XEROX CO., LTD. (JP) 2000-02-01 US disclosed
EP-0936218-A1 NOVEL BENZIMIDAZOLE DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1999-08-18 EP disclosed
US-5670563-A ORGANOTIN COMPOUND, PHOSPHORUS COMPOUND CIBA-SPECIALTY CHEMICALS CORPORATION (US) 1997-09-23 US disclosed
US-4988662-A MULTILAYER ELEMENT OF A COATED SUBSTRATE, A FILM WITH A COLOR-FORMING LACTONE, AN ACID AND A SENSITIZER DAINIPPON INK AND CHEMICALS, INC. (JP) 1991-01-29 US disclosed