SCHEMBL10968620

SCHEMBL10968620

CC1(C)C(C=O)=Cc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
PDK2 Q15119 1/20 0.34
PDK4 Q16654 1/20 0.34
MEN1 O00255 1/20 0.31
THRB P10828 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 2/20 0.30
TSHR P16473 1/20 0.30
CYP2A6 P11509 1/20 0.30

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
SCHEMBL27489312 0.73 MAPT (0.34) LMNAPDK2PDK4MEN1THRB
SCHEMBL27629279 0.71 HCAR2 (0.40) PDK2PDK4THRBTDP1ALDH1A1
SCHEMBL2047468 0.70 PDK2 (0.34) LMNAPDK2PDK4TSHR
SCHEMBL27341400 0.68 HCAR2 (0.30)
Ammonia Solution, Strong SCHEMBL7083566 0.68 PDK2 (0.33) LMNAPDK2PDK4TSHR
SCHEMBL10700103 0.68 PDK2 (0.33) PDK2PDK4TDP1
SCHEMBL16360047 0.68 HTR2A (0.35) PDK2PDK4
SCHEMBL12962759 0.68 PDK2 (0.33) PDK2PDK4
SCHEMBL30065828 0.68 MEN1 (0.39) MEN1KMT2AALDH1A1TSHR
SCHEMBL28849999 0.68 PDK2 (0.38) PDK2PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0041675-B1 4-HALOGEN-5-(TRICHLOROMETHYL-PHENYL)-OXAZOLE DERIVATIVES, PROCESS FOR PREPARING THEM AND RADIATION-SENSITIVE COMPOSITIONS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1985-12-11 EP disclosed
US-4371607-A 4-Halogeno-5-(halogenomethyl-phenyl)-oxazole derivatives, a process for the preparation thereof, and radiation-sensitive compositions containing these derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1983-02-01 US disclosed
EP-0041675-A2 4-Halogen-5-(trichloromethyl-phenyl)-oxazole derivatives, process for preparing them and radiation-sensitive compositions containing them HOECHST AKTIENGESELLSCHAFT (DE) 1981-12-16 EP disclosed