SCHEMBL29964241

SCHEMBL29964241

C=C1CC=COC1c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
CA2 P00918 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2C19 P33261 6/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SLC6A3 Q01959 2/20 0.31
RAB9A P51151 1/20 0.31
MAOA P21397 6/20 0.30
MAOB P27338 6/20 0.30
KDM1A O60341 4/20 0.30
CYP2B6 P20813 3/20 0.30
CYP1A2 P05177 2/20 0.30
CYP2D6 P10635 2/20 0.30
CYP2C9 P11712 2/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA2A P08913 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
SCHEMBL21703526 0.67 ALDH1A1 (0.43) TSHRCA2ALDH1A1CYP2C19MEN1
SCHEMBL29253910 0.66 KDM4E (0.45) TSHRCA2ALDH1A1CYP2C19MEN1
SCHEMBL1176630 0.64 TSHR (0.50) TSHRCYP2C19MEN1KMT2ASLC6A3
SCHEMBL5156811 0.64 TSHR (0.50) TSHRCYP2C19MEN1KMT2ASLC6A3
SCHEMBL7252825 0.63 ALDH1A1 (0.42) TSHRCA2ALDH1A1MEN1KMT2A
SCHEMBL3452689 0.61 TSHR (0.42) TSHRCYP2C19KMT2ASLC6A3MAOA
SCHEMBL14064807 0.61 ALDH1A1 (0.50) TSHRCA2ALDH1A1SLC6A3RAB9A
SCHEMBL9174680 0.61 TSHR (0.46) TSHRALDH1A1CYP2C19MEN1KMT2A
SCHEMBL8682122 0.60 KDM4E (0.37) TSHRCA2ALDH1A1MEN1KMT2A
SCHEMBL28780384 0.60 TSHR (0.35) TSHRCYP2C19MEN1KMT2ASLC6A3

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
US-12486471-B2 Perfume formulation for delivery system FIRMENICH SA (CH) 2025-12-02 US disclosed
US-20230040744-A1 Perfume Formulation for Delivery System FIRMENICH SA (CH) 2023-02-09 US disclosed
US-11484480-B2 Hair coloring composition comprising microcapsules FIRMENICH SA (CH) 2022-11-01 US disclosed