SCHEMBL8388024

SCHEMBL8388024

CCc1c(C(=O)O)ccc(C)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 6/20 0.40
HSD17B10 Q99714 4/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRA4 P48169 1/20 0.37

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
Hydrochloric Acid SCHEMBL6437034 0.86 TDP1 (0.47) TDP1MAPTALDH1A1HSD17B10KDM4E
SCHEMBL655746 0.85 TDP1 (0.44) TDP1MAPTALDH1A1HSD17B10KDM4E
SCHEMBL3245100 0.83 TDP1 (0.49) TDP1MAPTALDH1A1HSD17B10POLB
SCHEMBL3782773 0.83 MAPT (0.62) TDP1MAPTALDH1A1KDM4EHPGD
SCHEMBL18468544 0.81 HSD17B10 (0.47) TDP1MAPTALDH1A1HSD17B10KDM4E
SCHEMBL8119170 0.81 ALDH1A1 (0.44) TDP1MAPTALDH1A1HSD17B10KDM4E
SCHEMBL28733643 0.80 GABRP (0.42) TDP1ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL6646160 0.80 TDP1 (0.52) TDP1MAPTALDH1A1HSD17B10KDM4E
SCHEMBL1965987 0.78 GABRP (0.41) TDP1MAPTALDH1A1HSD17B10KDM4E
SCHEMBL7072975 0.78 GABRP (0.41) TDP1ALDH1A1HSD17B10KDM4EHPGD

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
CN-1072217-C Insecticidal N'-substituted -N, N'-diacylhydrazines ROHM & HAAS (US) 2001-10-03 CN disclosed
EP-0602794-B1 Insecticidal N'-substituted-N, N'-diacylhydrazines ROHM & HAAS (US) 1999-04-21 EP disclosed
EP-0729934-A2 A process for producing a 3-alkoxy-2-(substituted)benzoic acid or an ester thereof ROHM AND HAAS COMPANY (US) 1996-09-04 EP disclosed
EP-0729953-A2 A process for producing a 2-substituted-3,4-fused heterocyclic benzoic acid ROHM AND HAAS COMPANY (US) 1996-09-04 EP disclosed
US-5530028-A CONTROLS INSECTS OF THE ORDER LEPIDOPTERA ROHM AND HAAS COMPANY (US) 1996-06-25 US disclosed
EP-0602794-A2 Insecticidal N'-substituted-N, N'-diacylhydrazines ROHM AND HAAS COMPANY (US) 1994-06-22 EP disclosed