SCHEMBL9804450

SCHEMBL9804450

[CH2]C([CH]c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.43
DPP4 P27487 2/20 0.38
CYP1A2 P05177 1/20 0.38
F2 P00734 1/20 0.38
MAOB P27338 1/20 0.38
CYP2A6 P11509 1/20 0.38
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTR2A P28223 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
SRC P12931 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL3243405 0.77 TSHR (0.48) ALDH1A1TSHRDPP4CYP1A2F2
SCHEMBL7366231 0.76 ALDH1A1 (0.39) ALDH1A1TSHRDPP4CYP1A2F2
SCHEMBL7737180 0.75 CYP1A2 (0.53) ALDH1A1TSHRCYP1A2MAOBLMNA
SCHEMBL3834342 0.75 CYP1A2 (0.53) ALDH1A1TSHRCYP1A2MAOBLMNA
SCHEMBL6553126 0.74 ALDH1A1 (0.43) ALDH1A1TSHRDPP4CYP1A2F2
SCHEMBL6048471 0.74 ALDH1A1 (0.43) ALDH1A1TSHRDPP4F2MAOB
SCHEMBL6541276 0.73 ALDH1A1 (0.44) ALDH1A1TSHRDPP4CYP1A2F2
SCHEMBL1012389 0.72 TSHR (0.41) ALDH1A1TSHRDPP4F2LMNA
SCHEMBL3511627 0.72 DPP4 (0.48) DPP4F2LMNAHTR2ATAAR1
SCHEMBL20915029 0.72 DPP4 (0.48) DPP4F2LMNAHTR2ATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5007951-A Pre- or postemergent herbicides for use with crops CIBA-GEIGY CORPORATION (US) 1991-04-16 US disclosed
EP-0200677-B1 3-FLUOROPYRIDYL-2-OXY-PHENOXY DERIVATIVES WITH A HERBICIDAL ACTIVITY CIBA-GEIGY AG (CH) 1991-04-03 EP disclosed
US-4948414-A PLSNT GROWTH REGULATORS; PREEMERGENCE AND POSTEMERGENCE CIBA-GEIGY CORPORATION (US) 1990-08-14 US disclosed
EP-0338987-A1 5-(N-3,4,6-tetrahydrophthalimido)benzoic-acid thiol esters as selective herbicides CIBA-GEIGY AG (CH) 1989-10-25 EP disclosed
US-4875926-A 3-Fluoropyridyl-2-oxy-phenoxy derivatives having herbicidal activity CIBA-GEIGY CORPORATION (US) 1989-10-24 US disclosed
US-4838930-A REDUCTION OF GRASS GROWTH; PREEMERGENCE CIBA-GEIGY CORPORATION (US) 1989-06-13 US disclosed
US-4832736-A PLANT GROWTH REGULATORS CIBA-GEIGY CORPORATION (US) 1989-05-23 US disclosed
US-4740235-A SELECTIVE CONTROL OF GRASSES CIBA-GEIGY CORPORATION (US) 1988-04-26 US disclosed
EP-0200677-A2 3-Fluoropyridyl-2-oxy-phenoxy derivatives with a herbicidal activity CIBA-GEIGY AG (CH) 1986-11-05 EP disclosed
EP-0185369-A2 Polyamide-polyurea polymers THE DOW CHEMICAL COMPANY (US) 1986-06-25 EP disclosed
US-4552945-A REACTION INJECTION MOLDING, POLYURETHANES THE DOW CHEMICAL COMPANY (US) 1985-11-12 US disclosed
US-4058529-A Polycyclic amino derivatives of pyrrolidone and piperidone CIBA-GEIGY CORPORATION (US) 1977-11-15 US disclosed