SCHEMBL5678989

SCHEMBL5678989

CC1(c2ccccc2)C=c2ccccc2=C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 2/20 0.38
MCL1 Q07820 2/20 0.38
PAX8 Q06710 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
TSHR P16473 1/20 0.33
SLC6A4 P31645 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32
DPP4 P27487 1/20 0.32
POLB P06746 2/20 0.31

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
SCHEMBL2350335 0.75 LMNA (0.42) ALDH1A1LMNAGAAMCL1PAX8
SCHEMBL8861329 0.71 TSHR (0.32) ALDH1A1LMNATSHR
SCHEMBL20240642 0.65 MMP2 (0.39) ALDH1A1LMNAGAAMCL1PAX8
SCHEMBL19936870 0.64 ALDH1A1 (0.34) ALDH1A1LMNAGAAMCL1PAX8
SCHEMBL9453683 0.64 ALDH1A1 (0.34) ALDH1A1LMNAGAAMCL1PAX8
SCHEMBL8873990 0.64 MMP2 (0.47) ALDH1A1LMNAGAAMCL1PAX8
SCHEMBL23222658 0.62 ALDH1A1 (0.33) ALDH1A1LMNAGAAMCL1PAX8
SCHEMBL2595557 0.61 LMNA (0.41) ALDH1A1LMNAGAAMCL1PAX8
SCHEMBL498014 0.61 OPRM1 (0.50) ALDH1A1LMNAGAAMCL1PAX8
SCHEMBL11064104 0.61 ALDH1A1 (0.46) ALDH1A1LMNAGAAMCL1PAX8

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
EP-1123369-B1 LAUNDRY DETERGENTS COMPRISING MODIFIED ALKYLBENZENE SULFONATES PROCTER & GAMBLE (US) 2006-03-01 EP claimed