SCHEMBL11736701

SCHEMBL11736701

Cc1cc(C)cc(C(=O)NCc2ccco2)c1

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.79
TDP1 Q9NUW8 2/20 0.76
ALDH1A1 P00352 4/20 0.67
HPGD P15428 3/20 0.67
TSHR P16473 2/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.66
LMNA P02545 1/20 0.63
HTT P42858 1/20 0.63
MAPT P10636 2/20 0.62
NPC1 O15118 1/20 0.62
TP53 P04637 1/20 0.62
RAB9A P51151 1/20 0.62

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
SCHEMBL12756960 0.88 POLB (1.00) POLBTDP1ALDH1A1HPGDTSHR
SCHEMBL6023593 0.86 TDP1 (1.00) POLBTDP1ALDH1A1HPGDTSHR
SCHEMBL14520778 0.85 ALDH1A1 (0.63) POLBTDP1ALDH1A1HPGDTSHR
SCHEMBL10805444 0.82 ALDH1A1 (0.63) POLBTDP1ALDH1A1HPGDTSHR
SCHEMBL1490952 0.81 HPGD (0.76) POLBTDP1ALDH1A1HPGDTSHR
SCHEMBL12124360 0.80 HPGD (1.00) POLBTDP1ALDH1A1HPGDTSHR
SCHEMBL1694937 0.80 ALDH1A1 (0.64) POLBTDP1ALDH1A1HPGDL3MBTL1
SCHEMBL13212973 0.80 TDP1 (0.73) POLBTDP1ALDH1A1HPGDTSHR
SCHEMBL31396762 0.79 POLB (0.71) POLBTDP1ALDH1A1HPGDTSHR
SCHEMBL28851995 0.79 POLB (0.71) POLBTDP1ALDH1A1HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4054576-A Insect repellant compounds STAUFFER CHEMICAL COMPANY (US) 1977-10-18 US disclosed
US-4028411-A Insect repellent dimethylbenzamides STAUFFER CHEMICAL COMPANY (US) 1977-06-07 US disclosed
US-3966806-A DIMETHYLBENZENE AMIDES STAUFFER CHEMICAL COMPANY (US) 1976-06-29 US disclosed
US-3966809-A DIMETHYLBENZENE AMIDES STAUFFER CHEMICAL COMPANY (US) 1976-06-29 US disclosed
US-3960922-A INSECT REPELLENTS STAUFFER CHEMICAL COMPANY (US) 1976-06-01 US disclosed