SCHEMBL7967567

SCHEMBL7967567

CCCCOCCOc1ccc(C(O)c2c(-c3ccc(O)cc3)sc3cc(O)ccc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 19/20 0.52
ESR2 Q92731 11/20 0.45
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42
TUBB6 Q9BUF5 1/20 0.42
TUBB2B Q9BVA1 1/20 0.42
TUBB1 Q9H4B7 1/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42

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
SCHEMBL7618234 0.84 ESR1 (0.49) ESR1ESR2
SCHEMBL7624121 0.84 ESR1 (0.47) ESR1ESR2TUBB4ATUBBTUBA3C
SCHEMBL7967564 0.83 ESR1 (0.47) ESR1ESR2TUBB4ATUBBTUBA3C
SCHEMBL7627618 0.80 ESR1 (0.66) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL7621346 0.80 ESR1 (0.68) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL7618336 0.79 ESR1 (0.70) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL8901779 0.78 ESR1 (0.47) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL7617253 0.77 ESR1 (0.58) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL7623541 0.77 ESR1 (0.64) ESR1ESR2MEN1ALDH1A1LMNA
SCHEMBL6976728 0.74 ESR1 (0.81) ESR1ESR2MEN1ALDH1A1LMNA

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-6291484-B1 TREATMENT OF THE VARIOUS MEDICAL CONDITIONS ASSOCIATED WITH POSTMENOPAUSAL SYNDROME ELI LILLY AND COMPANY 2001-09-18 US disclosed
US-6090843-A POSTMENOPAUSE DISEASES; ESTROGEN SENSITIVITY; BONE DISORDERS ELI LILLY AND COMPANY (US) 2000-07-18 US disclosed