SCHEMBL11041287

SCHEMBL11041287

CC(C)=C/C=C(\c1ccc(C)cc1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.39
▸ MAPT P10636 4/20 0.37
▸ ALDH1A1 P00352 6/20 0.36
▸ HTT P42858 3/20 0.36
▸ NPSR1 Q6W5P4 3/20 0.36
▸ LMNA P02545 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ PKM P14618 2/20 0.36
▸ ATM Q13315 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ NLRP1 Q9C000 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NTSR1 P30989 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CES2 O00748 1/20 0.35
▸ CES1 P23141 1/20 0.35
▸ CYP1A1 P04798 1/20 0.35
▸ CYP1B1 Q16678 1/20 0.35
▸ PTGS1 P23219 1/20 0.34

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
SCHEMBL11041292 1.00 CA2 (0.39) CA2MAPTALDH1A1HTTNPSR1
SCHEMBL11043913 0.82 CES1 (0.42) ALDH1A1SMN1; SMN2MEN1KMT2ACES2
SCHEMBL11043916 0.82 CES1 (0.42) ALDH1A1SMN1; SMN2MEN1KMT2ACES2
SCHEMBL18827517 0.73 ALDH1A1 (0.43) MAPTALDH1A1HTTNPSR1LMNA
SCHEMBL11041996 0.72 MEN1 (0.48) MAPTALDH1A1LMNASMN1; SMN2PKM
SCHEMBL11041994 0.72 MEN1 (0.48) MAPTALDH1A1LMNASMN1; SMN2PKM
SCHEMBL11433697 0.69 ALDH1A1 (0.40) MAPTALDH1A1HTTNPSR1LMNA
SCHEMBL15182823 0.69 ALDH1A1 (0.40) MAPTALDH1A1HTTNPSR1LMNA
SCHEMBL11499357 0.69 ALDH1A1 (0.40) MAPTALDH1A1HTTNPSR1LMNA
SCHEMBL19445934 0.68 ALDH1A1 (0.35) CA2MAPTALDH1A1HTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4485252-A INSECTICIDES AND MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1984-11-27 — — US disclosed
EP-0019787-B1 2-PHENYLALKEN-1-YL-CYCLOPROPANE-CARBOXYLIC ACID ESTERS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS INSECTICIDES AND ACARICIDES; INTERMEDIATES IN THEIR PREPARATION BAYER AG (DE) 1984-03-14 — — EP disclosed
US-4344963-A INSECTICIDES, MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1982-08-17 — — US disclosed
EP-0019787-A2 2-Phenylalken-1-yl-cyclopropane-carboxylic acid esters, process for their preparation and their use as insecticides and acaricides; intermediates in their preparation BAYER AG (DE) 1980-12-10 — — EP disclosed
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