SCHEMBL11380969

SCHEMBL11380969

CCCc1cc(=O)oc2cc3occ(C)c3cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 1.00
KDM4E B2RXH2 8/20 1.00
TSHR P16473 5/20 1.00
HSD17B10 Q99714 4/20 1.00
HPGD P15428 3/20 1.00
POLB P06746 1/20 1.00
KCNA2 P16389 1/20 0.69
KCNA1 Q09470 1/20 0.69
ALDH1A2 O94788 2/20 0.66
ALDH2 P05091 2/20 0.66
ALDH1B1 P30837 2/20 0.66
ALDH1A3 P47895 2/20 0.66
MAPT P10636 1/20 0.66
KCNA3 P22001 6/20 0.54
HSD17B3 P37058 1/20 0.52
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL6995876 0.84 ALDH1A1 (0.78) ALDH1A1KDM4ETSHRHSD17B10HPGD
Hydrochloric Acid SCHEMBL7000338 0.83 ALDH1A1 (0.76) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL19002490 0.82 ALDH1A1 (0.68) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL1002900 0.81 ALDH1A1 (1.00) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL11382405 0.79 ALDH1A1 (0.79) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL10404718 0.76 ALDH1A1 (1.00) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL15546826 0.76 CYP2C9 (0.64) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL6836133 0.74 MCL1 (0.68) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL19002396 0.73 HSD17B3 (0.70) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL19248241 0.72 ALDH1A1 (0.67) ALDH1A1KDM4ETSHRHSD17B10HPGD

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-0008098-B1 1-PHENYL-3,3-DICHLORO-2-PROPENYL-(DI)(THIO)-PHOSPHORIC ACID ESTERS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PESTICIDES BASF Aktiengesellschaft (DE) 1981-08-26 EP disclosed
EP-0008098-A1 1-Phenyl-3,3-dichloro-2-propenyl-(di)(thio)-phosphoric acid esters, process for their preparation and their use as pesticides BASF Aktiengesellschaft (DE) 1980-02-20 EP disclosed