SCHEMBL7030170

SCHEMBL7030170

CC1=CC(=C(C)C)[C]=C1C1c2ccccc2-c2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
GPR3 P46089 1/20 0.32
HTR2A P28223 1/20 0.32

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
SCHEMBL7594417 0.83 MEN1 (0.31)
SCHEMBL7595432 0.80 PTPN1 (0.33) POLB
SCHEMBL7024410 0.71 POLB (0.37) POLBGPR3HTR2A
SCHEMBL7027896 0.68 HTR2A (0.30) HTR2A
Hydrochloric Acid SCHEMBL9069667 0.62 POLB (0.36) POLBGPR3HTR2A
Hydrochloric Acid SCHEMBL7902589 0.62 HTR2A (0.33) POLBGPR3HTR2A
SCHEMBL29945705 0.60 GPR3 (0.50) GPR3HTR2A
SCHEMBL8416742 0.60 GPR3 (0.50) GPR3HTR2A
SCHEMBL9285789 0.60 DRD2 (0.40) POLBGPR3HTR2A
SCHEMBL7043488 0.59 HDAC3 (0.57) POLBGPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0889059-B1 Catalyst based on monoazadiene metal complexes BAYER AG (DE) 2003-02-12 EP disclosed
US-20020052446-A1 Composition based on monofluorometal complexes BAYER AKTIENGESELLSCHAFT (DE) 2002-05-02 US disclosed
US-5965678-A Catalyst system based on monoazadiene metal complexes BAYER AG (DE) 1999-10-12 US disclosed
EP-0889059-A1 Catalyst based on monoazadiene metal complexes BAYER AG (DE) 1999-01-07 EP disclosed
EP-0399347-A2 Process for preparing a Syndio-isoblockpolymer HOECHST AKTIENGESELLSCHAFT (DE) 1990-11-28 EP disclosed