SCHEMBL28092131

SCHEMBL28092131

COC1=C(OC)C([Ti])c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
RAB9A P51151 3/20 0.40
CDC25A P30304 2/20 0.40
CDC25B P30305 2/20 0.40
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
POLB P06746 2/20 0.40
TP53 P04637 2/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAP2K7 O14733 1/20 0.40
GMNN O75496 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
Hydrochloric Acid SCHEMBL7822603 0.72 ALDH1A1 (0.38) MAPTALDH1A1RAB9ACDC25ACDC25B
SCHEMBL4454304 0.71 GPR3 (0.46) CDC25BPOLBCYP1A2CYP2D6MEN1
SCHEMBL16144816 0.71 ALDH1A1 (0.36) MAPTALDH1A1RAB9ACDC25ACDC25B
Methyl Alcohol SCHEMBL8154232 0.70 GPR3 (0.46) CDC25BPOLBLMNACYP1A2CYP2D6
Chloromethane SCHEMBL8155580 0.70 GPR3 (0.46) CDC25BPOLBLMNACYP1A2CYP2D6
Hydrochloric Acid SCHEMBL7644477 0.69 GPR3 (0.44) CDC25BPOLBCYP1A2CYP2D6MEN1
Hydrochloric Acid SCHEMBL7640880 0.69 GPR3 (0.44) CDC25BPOLBCYP1A2CYP2D6MEN1
SCHEMBL7815114 0.67 MAPT (0.33) MAPTALDH1A1RAB9ACDC25ACDC25B
Isopropyl Alcohol SCHEMBL8638388 0.65 GPR3 (0.41) CDC25BPOLBCYP1A2MEN1KMT2A
SCHEMBL8469884 0.61 GPR3 (0.33) GPR3

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
CN-105820280-A Ethylene-olefin copolymer and preparation thereof 韩华道达尔有限公司 2016-08-03 CN disclosed