SCHEMBL20179610

SCHEMBL20179610

CCc1cc(CCc2ccc(OC)c(OC)c2)cc(C)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.50
TUBB P07437 2/20 0.50
TUBA3C P0DPH7 2/20 0.50
TUBA1B P68363 2/20 0.50
TUBA4A P68366 2/20 0.50
TUBB4B P68371 2/20 0.50
TUBB3 Q13509 2/20 0.50
TUBB2A Q13885 2/20 0.50
TUBB8 Q3ZCM7 2/20 0.50
TUBA3E Q6PEY2 2/20 0.50
TUBA1A Q71U36 2/20 0.50
TUBA1C Q9BQE3 2/20 0.50
TUBB6 Q9BUF5 2/20 0.50
TUBB2B Q9BVA1 2/20 0.50
TUBB1 Q9H4B7 2/20 0.50
CYP19A1 P11511 1/20 0.50
ATM Q13315 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ABCB1 P08183 2/20 0.48
CALM1 P0DP23 1/20 0.48

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
SCHEMBL20179613 0.91 CYP19A1 (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL20179601 0.89 TUBB4A (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29689431 0.79 TUBB4A (0.74) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL20696534 0.79 TUBB4A (0.74) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12770648 0.78 TUBB4A (0.68) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29689638 0.78 TUBB4A (0.68) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31157848 0.77 CYP19A1 (0.77) CYP19A1ATMKDM4EABCB1CALM1
SCHEMBL16641094 0.77 CYP19A1 (0.77) CYP19A1ATMKDM4EABCB1CALM1
SCHEMBL10335393 0.75 CYP19A1 (0.81) CYP19A1ATMKDM4EABCB1CALM1
SCHEMBL11809776 0.74 CYP19A1 (0.59) CYP19A1ATMKDM4EABCB1SMN1; SMN2

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
WO-2018090805-A1 SKIN-PROTECTION COMPOSITION CONTAINING DENDROBIUM-BASED INGREDIENTS HONG KONG BAPTIST UNIVERSITY (CN) 2018-05-24 WO disclosed