SCHEMBL7197218

SCHEMBL7197218

O=C(Cl)Oc1ccc2ccccc2c1OC(=O)Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 12/20 0.46
LMNA P02545 4/20 0.46
SMN1; SMN2 Q16637 5/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
TP53 P04637 2/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 2/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 1/20 0.40
PGR P06401 1/20 0.40
GAA P10253 1/20 0.40
PTGS1 P23219 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL11865826 0.88 MAPT (0.51) NCEH1LMNASMN1; SMN2POLBHPGD
SCHEMBL9257525 0.82 LDHA (0.49) NCEH1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL11867995 0.81 TSHR (0.46) NCEH1LMNASMN1; SMN2TP53HPGD
SCHEMBL11863351 0.81 NCEH1 (0.65) NCEH1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL7068984 0.80 NCEH1 (0.45) NCEH1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL6546273 0.79 ALDH1A1 (0.48) HPGDL3MBTL1ALDH1A1GAAHSD17B10
SCHEMBL878536 0.79 ALDH1A1 (0.61) RAB9APOLBHPGDTDP1L3MBTL1
SCHEMBL9488962 0.79 HTT (0.54) NCEH1LMNATP53POLBHPGD
SCHEMBL29728547 0.79 NCEH1 (0.47) NCEH1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL10773502 0.78 TSHR (0.50) NCEH1LMNASMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1304924-A2 COMPOSITIONS FOR REPELLING CRAWLING INSECTS Bayer Aktiengesellschaft (DE) 2003-05-02 EP disclosed
WO-2002005646-A2 COMPOSITIONS FOR REPELLING CRAWLING INSECTS S.C. JOHNSON & SON, INC. (US) (US) 2002-01-24 WO disclosed