SCHEMBL29207265

SCHEMBL29207265

COCOc1cc(OC)cc(Cl)c1C1CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROR1 Q01973 1/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CRHR1 P34998 1/20 0.33
PDE10A Q9Y233 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
HTR2A P28223 2/20 0.31
SLC6A4 P31645 2/20 0.31
KCNH2 Q12809 2/20 0.31
MAP2K3 P46734 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL29680450 0.79 HTR1A (0.32) ROR1SLC6A4
SCHEMBL23043281 0.79 HTR1A (0.32) ROR1SLC6A4
SCHEMBL29207327 0.74 ENPP2 (0.35) ROR1MAPTALDH1A1TSHRHTR2A
SCHEMBL26207348 0.74 MAOA (0.37) ALDH1A1HTR2ASLC6A4TAS1R3TAS1R1
SCHEMBL31733227 0.74
SCHEMBL30520918 0.74
SCHEMBL29207296 0.71 LMNA (0.36) MAPTLMNATP53TAS1R3TAS1R1
SCHEMBL1606682 0.69 ALDH1A1 (0.42) ROR1MAPTLMNAALDH1A1TSHR
SCHEMBL29276019 0.69 PTGDR (0.39) ROR1MAPTLMNAALDH1A1HTR2A
SCHEMBL16009783 0.69 ROR1 (0.36) ROR1ALDH1A1

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-4596551-A1 COMPOUNDS WITH ANTI-KRAS MUTANT TUMOR ACTIVITY Trasveda Ltd. (KY) 2025-08-06 EP disclosed
CN-117800975-A Compounds with anti-KRAS mutant tumor activity 泰励生物科技(上海)有限公司 2024-04-02 CN disclosed