SCHEMBL11789502

SCHEMBL11789502

C=COC(C)Oc1ccc(C(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
NR1H4 Q96RI1 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
MAOB P27338 1/20 0.33
AOC3 Q16853 1/20 0.33
LMNA P02545 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
SCHEMBL3464038 0.89 ALDH1A1 (0.33) MAPTALDH1A1HPGDNR1H4TDP1
SCHEMBL1344967 0.87 ALDH1A3 (0.39) ALDH1A1L3MBTL1TSHRSMN1; SMN2TP53
SCHEMBL18222954 0.84 MAPT (0.40) MAPTRAB9ANPC1ALDH1A1HPGD
SCHEMBL7218355 0.82 TSHR (0.42) MAPTRAB9ANPC1ALDH1A1HPGD
SCHEMBL3958244 0.81 CYP1A2 (0.39) MAPTMAOBKMT2A
SCHEMBL11788149 0.79 CA1 (0.44) ALDH1A1MAPK1CA1CA2CA9
SCHEMBL9557952 0.79 ALDH1A3 (0.34)
SCHEMBL2960693 0.79 ACHE (0.38) MAPTALDH1A1CA1CA2CA9
SCHEMBL14227022 0.79 MAPT (0.45) MAPTRAB9ANPC1ALDH1A1HPGD
SCHEMBL2449735 0.78 ESR2 (0.38) MAPTRAB9ANPC1MAPK1CA1

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-3933509-A Photo-polymerizable composition containing an acid salt of an indolinobenzospiropyran FUJI PHOTO FILM CO., LTD. (JA) 1976-01-20 US disclosed