SCHEMBL21802302

SCHEMBL21802302

CCCCCC(CC)C(C)OOC(=O)/C=C/c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.44
HDAC3 O15379 1/20 0.41
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 2/20 0.40
AKR1B10 O60218 1/20 0.39
AKR1B1 P15121 1/20 0.39
TUBB4A P04350 2/20 0.38
TUBB P07437 2/20 0.38
TUBA3C P0DPH7 2/20 0.38
TUBA1B P68363 2/20 0.38
TUBA4A P68366 2/20 0.38
TUBB4B P68371 2/20 0.38
TUBB3 Q13509 2/20 0.38
TUBB2A Q13885 2/20 0.38
TUBB8 Q3ZCM7 2/20 0.38
TUBA3E Q6PEY2 2/20 0.38
TUBA1A Q71U36 2/20 0.38
TUBA1C Q9BQE3 2/20 0.38
TUBB6 Q9BUF5 2/20 0.38

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
SCHEMBL21802303 1.00 EGFR (0.44) EGFRHDAC3ALDH1A1TDP1LMNA
SCHEMBL28474356 0.84 EGFR (0.47) EGFRHDAC3ALDH1A1TDP1LMNA
SCHEMBL119067 0.83 EGFR (0.49) EGFRHDAC3ALDH1A1TDP1LMNA
SCHEMBL119063 0.83 EGFR (0.49) EGFRHDAC3ALDH1A1TDP1LMNA
SCHEMBL29160593 0.77 ALDH1A1 (0.54) EGFRHDAC3ALDH1A1LMNAAKR1B10
SCHEMBL119066 0.77 TDP1 (0.55) EGFRHDAC3ALDH1A1TDP1LMNA
3-Octanol SCHEMBL28795848 0.77 EGFR (0.45) EGFRHDAC3ALDH1A1TDP1LMNA
SCHEMBL13688231 0.77 EGFR (0.50) EGFRHDAC3ALDH1A1LMNAAKR1B10
SCHEMBL3222436 0.76 EGFR (0.49) EGFRHDAC3ALDH1A1TDP1LMNA
SCHEMBL28048304 0.76 ALDH1A1 (0.56) EGFRHDAC3ALDH1A1LMNAAKR1B10

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-20200154850-A1 COSMETIC PRODUCT IMPREGNATED WITH COSMETIC COMPOSITION HAVING ULTRAVIOLET BLOCKING FUNCTION COSMAX, INC. (KR) 2020-05-21 US disclosed
EP-3622944-A1 COSMETIC PRODUCT IMPREGNATED WITH COSMETIC COMPOSITION HAVING ULTRAVIOLET BLOCKING FUNCTION Cosmax, Inc. (KR) 2020-03-18 EP disclosed