SCHEMBL8413404

SCHEMBL8413404

OCC(c1ccccc1)(c1ccccc1O)c1ccccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
TSHR P16473 1/20 0.45
KIF11 P52732 6/20 0.41
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
BCL2L1 Q07817 1/20 0.37
CYP3A4 P08684 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
CA12 O43570 1/20 0.36
GMNN O75496 1/20 0.36
EGFR P00533 1/20 0.36
CA2 P00918 1/20 0.36
LMNA P02545 1/20 0.36
FYN P06241 1/20 0.36
POLB P06746 1/20 0.36
CA3 P07451 1/20 0.36
MAPT P10636 1/20 0.36
MMP9 P14780 1/20 0.36

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
SCHEMBL8413111 0.89 ESR1 (0.46) ALDH1A1TDP1TSHRKIF11HPGD
SCHEMBL30639004 0.82 ALDH1A1 (0.48) ALDH1A1TDP1TSHRKIF11HPGD
SCHEMBL985016 0.82 ALDH1A1 (0.48) ALDH1A1TDP1TSHRKIF11HPGD
SCHEMBL18076586 0.82 ALDH1A1 (0.48) ALDH1A1TDP1TSHRKIF11HPGD
SCHEMBL8520409 0.80 CYP2C9 (0.48) ALDH1A1TDP1TSHRKIF11BCL2L1
SCHEMBL8863024 0.80 CYP2C9 (0.48) ALDH1A1TDP1TSHRKIF11BCL2L1
SCHEMBL913404 0.79 KIF11 (0.46) ALDH1A1TSHRKIF11ALOX15SMN1; SMN2
SCHEMBL30639006 0.79 ALDH1A1 (0.45) ALDH1A1TDP1TSHRKIF11SMN1; SMN2
SCHEMBL18076575 0.79 ALDH1A1 (0.45) ALDH1A1TDP1TSHRKIF11SMN1; SMN2
SCHEMBL6521599 0.79 HSPA5 (0.43) ALDH1A1TDP1TSHRKIF11HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0629894-B1 Method for domain-dividing liquid crystal alignment film and liquid crystal device using such film JAPAN SYNTHETIC RUBBER CO LTD (JP) 1999-08-04 EP disclosed
US-5478682-A Patterned exposure and alkaline development of a photosensitive resin covering a film aligned in one direction prior to aligning uncovered film portion in another direction JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1995-12-26 US disclosed
EP-0629894-A1 Method for domain-dividing liquid crystal alignment film and liquid crystal device using such film JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1994-12-21 EP disclosed