SCHEMBL21215696

SCHEMBL21215696

CCC(C)(CC)c1ccc(Cc2ccc(-c3ccc(Cc4ccc(N5C(=O)C6C(C5=O)C5C(=O)N(C(C)(CC)CC)C(=O)C65)cc4)cc3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
TRIP13 Q15645 1/20 0.36
MGLL Q99685 2/20 0.34
FAAH O00519 1/20 0.34
LMNA P02545 2/20 0.34
KCNH2 Q12809 1/20 0.34
RAB9A P51151 2/20 0.33
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
KMT2A Q03164 1/20 0.30

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
SCHEMBL21215977 0.94 KMT2A (0.33) SMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL21215699 0.90 KMT2A (0.35) SMN1; SMN2ALDH1A1HPGDHTTESR1
SCHEMBL21215965 0.85 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1HPGDHTTTRIP13
SCHEMBL21215972 0.83 HSP90AA1 (0.33) SMN1; SMN2KMT2A
SCHEMBL12812243 0.76 STAT3 (0.42) ALDH1A1HPGDRAB9AESR1ESR2
SCHEMBL21064097 0.74 ALDH1A1 (0.33) SMN1; SMN2ALDH1A1HPGDHTTTRIP13
SCHEMBL25544641 0.73 CRHR1 (0.37)
SCHEMBL25751300 0.71 MAPT (0.30) ALDH1A1HPGDHTTRAB9A
SCHEMBL25751314 0.70 LMNA (0.32) SMN1; SMN2ALDH1A1HTTLMNA
SCHEMBL21090633 0.68 CRHR1 (0.35) ALDH1A1

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
US-10809574-B2 Liquid crystal alignment agent, liquid crystal alignment film, and liquid crystal display device SHARP KABUSHIKI KAISHA (JP) 2020-10-20 US disclosed
US-20190233731-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY DEVICE SHARP KABUSHIKI KAISHA (JP) 2019-08-01 US disclosed