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Lindane

Lindane

SCHEMBL9854556

C=C(C)C(=O)OC(C)(C)F.Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl

nearest known ligand 0.38

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Known targets — ChEMBL curated mechanism

823298382338688239847Rdl1Rdl2Rdl3

The experimentally established mechanism targets of Lindane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.38
▸ TSHR P16473 1/20 0.31

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
SCHEMBL3134330 0.89 ALDH1A1 (0.46) ALDH1A1TSHR
SCHEMBL145853 0.76 ALDH1A1 (0.46) ALDH1A1TSHR
SCHEMBL31364542 0.73 ALDH1A1 (0.48) ALDH1A1TSHR
SCHEMBL26136358 0.73 ALDH1A1 (0.48) ALDH1A1TSHR
SCHEMBL268102 0.73 ALDH1A1 (0.48) ALDH1A1TSHR
SCHEMBL10899304 0.73 ALDH1A1 (0.48) ALDH1A1TSHR
SCHEMBL86049 0.72 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL18789073 0.72 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL145571 0.72 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL8383943 0.72 ALDH1A1 (0.42) ALDH1A1TSHR

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
EP-0406161-A2 Fluorine and/or silicone containing poly(alkylene-oxide)-block copolymers and contact lenses thereof CIBA-GEIGY AG (CH) 1991-01-02 — — EP disclosed