SCHEMBL28175407

SCHEMBL28175407

Nc1ccc(C(=O)OC(=O)CF)cc1.[Ti].[Ti]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
CYP1A2 P05177 3/20 0.50
CYP3A4 P08684 3/20 0.50
MAOA P21397 2/20 0.50
TSHR P16473 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
PDE4D Q08499 1/20 0.45
PHLPP2 Q6ZVD8 1/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2D6 P10635 2/20 0.41
HTR3A P46098 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
BLM P54132 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SCN1A P35498 2/20 0.40
SCN2A Q99250 2/20 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
SCHEMBL28402990 0.81 LMNA (0.53) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL10389932 0.81 LMNA (0.53) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL248077 0.80 LMNA (0.59) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL775876 0.79 TDP1 (0.53) LMNACYP1A2NPC1RAB9AMAPT
SCHEMBL11235315 0.76 LMNA (0.53) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL28446692 0.76 LMNA (0.55) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL28446693 0.74 LMNA (0.53) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL28659060 0.74 LMNA (0.53) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL2145960 0.74 LMNA (0.53) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL10652248 0.74 LMNA (0.61) LMNACYP1A2CYP3A4MAOATSHR

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
CN-102341187-B Via the method for pre- SOF preparation structures organic film (SOF) 施乐公司 2017-09-29 CN disclosed
CN-102341186-B Electronic devices comprising structured organic films 施乐公司 2017-09-29 CN disclosed