SCHEMBL9004335

SCHEMBL9004335

C=C(C(=C)c1ccccc1)c1ccccc1.c1ccc2c(c1)-c1ccccc1C2[Ti]1(NC2CCCCCCCCCCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
LMNA P02545 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
DUSP1 P28562 1/20 0.33
DUSP6 Q16828 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL8677079 0.82 HPGD (0.41) RAB9ANPC1LMNASMN1; SMN2ALDH1A1
SCHEMBL8676956 0.78 ATM (0.31)
SCHEMBL8678528 0.77 HTT (0.37) LMNAMEN1KMT2AALDH1A1RECQL
SCHEMBL8681257 0.77 MAPT (0.32)
Butadiene SCHEMBL8681354 0.69 MEN1 (0.37) LMNAMEN1KMT2AALDH1A1RECQL
SCHEMBL8678590 0.69
SCHEMBL8678235 0.68 CYP2C19 (0.41) LMNASMN1; SMN2ALDH1A1CYP2C19
SCHEMBL8677963 0.66 MEN1 (0.36) RAB9ANPC1LMNAMEN1KMT2A
SCHEMBL4909831 0.65 RAB9A (0.56) RAB9ANPC1LMNASMN1; SMN2MEN1
SCHEMBL14012005 0.64 RAB9A (0.54) RAB9ANPC1LMNASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5539068-A Group 4, metal-conjugated diene metallocyclopentene complexes, and addition polymerization catalysts therefrom THE DOW CHEMICAL COMPANY (US) 1996-07-23 US disclosed