SCHEMBL6774953

SCHEMBL6774953

CCC(CCCc1ccccc1)(CCCc1cc(OC)c(OC)c(OC)c1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.47
TUBB4A P04350 2/20 0.47
TUBB P07437 2/20 0.47
TUBA3C P0DPH7 2/20 0.47
TUBA1B P68363 2/20 0.47
TUBA4A P68366 2/20 0.47
TUBB4B P68371 2/20 0.47
TUBB3 Q13509 2/20 0.47
TUBB2A Q13885 2/20 0.47
TUBB8 Q3ZCM7 2/20 0.47
TUBA3E Q6PEY2 2/20 0.47
TUBA1A Q71U36 2/20 0.47
TUBA1C Q9BQE3 2/20 0.47
TUBB6 Q9BUF5 2/20 0.47
TUBB2B Q9BVA1 2/20 0.47
TUBB1 Q9H4B7 2/20 0.47
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL6778470 0.84 HDAC3 (0.48) ALOX5LMNASMN1; SMN2TDP1L3MBTL1
SCHEMBL6779974 0.82 PPARG (0.49) KDM4E
SCHEMBL11050995 0.81 HDAC3 (0.48) ALOX5LMNASMN1; SMN2TDP1L3MBTL1
SCHEMBL11049302 0.80 HPGD (0.48) LMNASMN1; SMN2TRPV1ALDH1A1HPGD
SCHEMBL6781362 0.80 KMT2A (0.52) L3MBTL1ALDH1A1KMT2AABCB1
SCHEMBL7896500 0.79 TUBB4A (0.61) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21530612 0.76 TUBB4A (0.70) ALOX5TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL18085386 0.74 ALDH1A1 (0.47) LMNASMN1; SMN2TDP1ALDH1A1MEN1
SCHEMBL6774946 0.74 LPAR1 (0.49) ALOX5TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29501730 0.72 MEN1 (0.68) TRPV1ALDH1A1HPGDMEN1KMT2A

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-6818643-B1 3,9-DIAZABICYCLO(3.3.1)NONAN-2-ONE DERIVATIVES; PEPTIDYL-PROLYL ISOMERASE (PPIASE OR ROTAMASE) INHIBITORS; NEUROPROTECTIVE AGENTS BRISTOL-MYERS SQUIBB COMPANY 2004-11-16 US disclosed
WO-2001042245-A1 NEUROTROPHIC BICYCLIC DIAMIDES BRISTOL-MYERS SQUIBB COMPANY (US) 2001-06-14 WO disclosed